Syllabus For M.Sc. Ph.D. Entrance Examination M.Sc. Chemistry

Syllabus for M.Sc. Ph.D.
Entrance Examination
M.Sc. Chemistry
The Syllabus for M.Sc entrance test is based on the existing syllabus of B.Sc. (Hons) in
Chemistry under Choice Based Credit System (only core).
Type of question paper in the entrance examination: Multiple Choice Questions (MCQ) with
negative marking.
Ph.D. in Chemistry
The Syllabus for the Ph.D. entrance test is based on the existing syllabus of M.Sc. in Chemistry
as per UGC guidelines.
Type of question paper in the entrance examination: Multiple Choice Questions (MCQ) with
negative marking.
MASTER OF SCIENCE IN CHEMISTRY
TWO YEARS FULL TIME PROGRAMME
RULES, REGULATIONS AND COURSE CONTENTS
DEPARTMENT OF CHEMISTRY
FACULTY OF SCIENCE
UNIVERSITY OF DELHI
DELHI – 110007
2018
1
MASTER OF SCIENCE IN CHEMISTRY
TWO YEARS FULL TIME PROGRAMME
AFFILIATION
The proposed programme shall be governed by the Department of Chemistry, Faculty of Science,
University of Delhi, Delhi – 110007.
PROGRAMME STRUCTURE
The Master of Science in Chemistry course is a Two Year Full Time Course consisting of
four semesters, to be known as Semester I, Semester II, Semester III and Semester IV.
Part I First Year Semester I Semester II

Part II Second Year Semester III Semester IV
COURSE STRUCTURE
Semester Core courses Elective courses Open elective courses Total

No. of Credits Total No. of Credits Total No. of Credits Total credits
papers (L+T/P) credits papers (L+T/P) credits papers (L+T/P) credits
I 3 12 + 6 18 Nil 0 Nil 0 18
II 3 12 + 6 18 Nil 0 Nil 0 18
III 3 12 12 2 8 8 1 4 4 24
IV 0 0 4 12 + 8 20 1 4 4 24
Total credits for the course 48 28 8 84
2
Semester-wise Course Details
Semester I
Number of core courses Six (3 Theory + 3 Practical)
Credits in each course
Theory Practical Tutorial Total
Core course 1 4 2 0 6
Total credits in core course 18
Number of elective courses Nil

Total credits in elective course 0
Total credits in Semester I 18
Semester II
Number of core courses Six ( 3 Theory + 3 Practical)
Number of elective courses Nil

Total credits in Semester II 18
Semester III
Number of core courses Three ( 3 Theory)
Number of elective courses One ( 1 Practical)

Elective practical 1 0 8 0 8
Number of open electives One

Credits in each open elective
Open elective 1 4 0 0 4
Total credits in open elective 4
Total credits in Semester III 24
3
Semester IV
Number of core courses Nil
Number of elective courses Four ( 3 Theory + 1 Practical)

Elective course 1 4 0 0 4
Elective practical 2 and Research Project 0 8 0 8
Number of open electives One ( 1 Theory)

Open elective 2 4 - - 4
Total credits in open elective 4
Total credits in Semester IV 24

Total credits of the course = 18 + 18 + 24 + 24 = 84
4
MASTER OF SCIENCE IN CHEMISTRY COURSE
Examination and Scheme of Papers
(i) The duration of the course for the degree of Master of Science in Chemistry shall be two
academic years.
(ii) All the papers listed below are to be taught in two parts (Courses A and B).
(iii) The course is divided into four semesters and there shall be an examination at the end of each
semester as given below:
Scheme of Papers
Part I
Semester I
Paper No. Title Duration of Maximum Marks Credits
Examination
(Hours)
Paper 101 Inorganic Chemistry – I 3 100 4
Stability Constants of Metal
Complexes and Their
Applications
/ Supramolecular and
Photoinorganic Chemistry
(Core course 1)
Inorganic Chemistry – I Continuous 50 2
(Practical core course 1) Evaluation
Paper 102 Organic Chemistry – I 3 100 4

Reactive Intermediates in
Organic Chemistry /
Stereochemistry of Organic
Compounds
(Core course 2)
Organic Chemistry – I Continuous 50 2
Paper 103 Physical Chemistry – I 3 100 4

Quantum Chemistry
(Core course 3)
Physical Chemistry – I Continuous 50 2
TOTAL 450 18
5
Semester II
Paper No. Title Duration of Maximum Marks Credits
Examination
(Hours)
Paper 201 Inorganic Chemistry – II 3 100 4
Group Theory and its
Applications / Chemistry of
d-and f-block Elements
(Core course 4)
Inorganic Chemistry – II Continuous 50 2
Paper 202 Organic Chemistry – II 3 100 4

Spectroscopy of Organic
Compounds / Reagents and
Methods of Organic
Synthesis
(Core course 5)
Organic Chemistry – II Continuous 50 2
Paper 203 Physical Chemistry – II 3 100 4

Statistical Mechanics &
Thermodynamics,
Electrochemistry, Kinetics
and Macromolecules
(Core course 6)
Physical Chemistry – II Continuous 50 2
TOTAL 450 18
Note: Each of the Practical Chemistry Papers shall be based on continuous evaluation. 25% of the total marks
for the Practical shall be reserved for the Laboratory Record/ Sessional Work of the candidates and 15% marks
for viva-voce.
30 marks (24 marks for internal exam and 6 marks for attendance) in each theory paper are reserved for internal
assessment.
6
Part II
Semester III
Paper Title Duration of Maximum Credits
No. Examination Marks
(Hours)
Paper Inorganic Chemistry – III 3 100 4
301 Inorganic Reaction Mechanisms /
Catalysis and Bio-inorganic Chemistry
(Core course 7)
Paper Organic Chemistry – III 3 100 4
302 Photochemistry & Pericyclic Reactions
/ Medicinal Chemistry
(Core course 8)
Paper Physical Chemistry – III 3 100 4
303 Molecular Structure: Spectroscopic and
Diffraction Methods
(Core course 9)
Paper Inorganic Chemistry (Special - I) 3 100 4
*
3101 Chemistry of Inorganic Rings, Cages and
Metal Cluster Compounds / Introduction to
the Solution of Multielectron Problems
(Open Elective-1)
Paper Inorganic Chemistry (Special - II) 3 100 4
*
3102 Introduction to Nanochemistry
(Open Elective-1)
Paper Organic Chemistry (Special - I) 3 100 4
#
3201 Chemistry of Life Processes & Bioactive
Compounds
(Open Elective-1)
Paper Organic Chemistry (Special-II) 3 100 4
#
3202 (Open Elective-1)
Polymer Chemistry & Processing and Role of
Catalysis in Chemical Synthesis
Paper Physical Chemistry (Special - I) 3 100 4
a
3301 Irreversible Thermodynamics, Transport
Phenomena, Surface Phenomena & Fast
Reactions
(Open Elective-1)
Paper Practical Inorganic Chemistry - I Continuous 200** 8
3103 (Elective practical 1) evaluation
Paper Practical Organic Chemistry – I Continuous 200** 8
Paper Practical Physical Chemistry – I Continuous 200** 8
*Inorganic Chemistry Section will offer either Paper 3101 or 3102 as Open elective.
#
Organic Chemistry Section will offer either Paper 3201 or 3202 as Open elective
a
Prerequisite: mathematics upto the +2 level for Paper 3301.
**The Practical Paper in each branch in Semester III shall be continuously evaluated.
25% of the marks will be reserved for the Laboratory Record/ Sessional work of the candidates and
15% marks for viva-voce.
7
Semester IV
(1) Inorganic Group:
Paper No. Title Duration of Maximum Credits
Examination (Hours) Marks
Paper 4101 Inorganic Chemistry (Special - III) 3 100 4
Spectral Techniques in Inorganic
Chemistry
(Elective course 1)
Paper 4102 Inorganic Chemistry (Special - IV) 3 100 4
Organotransition Metal Chemistry
/ Bio-inorganic Chemistry
(Elective course 2)
Paper 4103 Inorganic Chemistry (Special - V) 3 100 4
Analytical Techniques
(Elective course 3)
*
Paper 4104 Inorganic Chemistry (Special - VI) 3 100 4
Materials / Nuclear and
Radiochemistry
(Open elective 2)
*
Paper 4105 Inorganic Chemistry (Special - 3 100 4
VII)
Green Chemistry: An
interdisciplinary approach
towards sustainable development
(Open elective 2)
#
Paper 4106 Practical Inorganic Chemistry – II Continuous evaluation 200 8
Practical & Research Project
Evaluation
(Elective practical 2)
*Inorganic Chemistry Section will offer either Paper 4104 or 4105 as open elective.
#
100 marks are reserved for practicals (continuous evaluation). 25% of these marks will be reserved for the
Laboratory Record/ Sessional work of the candidates and 15% marks for viva-voce. The remaining 100 marks
are reserved for the Research Project, which includes submitting a dissertation and making a presentation.
8
(2) Organic Group:
Examination Marks
(Hours)
Paper 4201 Organic Chemistry (Special - II) 3 100 4
Advanced Organic Synthesis /
Supramolecular Chemistry and
Carbocyclic Rings
(Elective course 1)
Paper 4202 Organic Chemistry (Special - III) 3 100 4
Terpenes and Steroids / Alkaloids and
Polyphenols
(Elective course 2)
Paper 4203 Organic Chemistry (Special - IV) 3 100 4
Newer Synthetic Reactions and
Reagents / Heterocyclic Chemistry
(Elective course 3)
*
Paper 4204 Organic Chemistry (Special -V) 3 100 4
Biomolecules
(Open Elective course 2)
*
Paper 4205 Organic Chemistry (Special -VI) 3 100 4
Pharmaceutical Techniques
Technologies Development
(Open Elective course 2)
#
Paper 4206 Practical Organic Chemistry – II & Continuous 200 8
Research Project Evaluation evaluation
(Elective practical 2)
*Organic chemistry section will offer either Paper 4204 or 4205.
##
9
(3) Physical Group:
a
Examination Marks
(Hours)
Paper 4301 Physical Chemistry Special 3 100 4
Advanced Statistical Mechanics
(Elective)
Advanced Electrochemistry
(Elective)
Advanced Photochemistry &
Radiation Chemistry
(Elective)
Computational Methods in
Chemistry (Elective)

Advanced Quantum Chemistry
(Elective)
Advanced Chemical Kinetics
(Elective)
Advanced Molecular Spectra
(Elective)
Crystal Structure
(Elective)
Macromolecules
(Elective)
Paper 4310* Physical Chemistry Special 3 100 4
Biophysical
Chemistry
(Open Elective)
Paper 4311* Physical Chemistry Special 3 100 4
Physical Chemistry of Materials
(Open Elective)
#
Paper 4312 Practical Physical Chemistry - II & Continuous 200 8
Research Project Evaluation. evaluation
(Elective)
TOTAL 2100 84
a
Valid for the academic year 2018-19. Mathematics at least upto the +2 level is a prerequisite for the Physical
Chemistry Open Elective.
Only three of the nine Elective papers (Papers 4301 to 4309) will be offered in any academic year.
*Only one of the two Open Elective papers (paper 4310 or 4311) will be offered in any academic year.
##
10
Notes:
(1) At the beginning of Semester III, the students will be required to choose their specialization, viz. Inorganic,
Organic or Physical Chemistry and take Elective papers accordingly. They will take one Special Paper (Open
elective 1) in Semester III and four Papers of the specialization of their choice or, alternatively, three special
papers (Electives) of the specialization of their choice and one paper out of the open elective papers offered by
their specialization or other Science Departments in Semester III. They will also have to take two Special
Practical Papers (Elective practicals, one each in Semester III and IV). For Physical Chemistry (Special)
Semester IV, the options available as Electives and the Open elective (from among Physical Chemistry Special
Papers 4301 - 4311) will be notified at the Chemistry Department website before the session starts. Mathematics
upto at least the +2 level is a prerequisite for the Physical Chemistry Open Electives.
(2) *The two Practical Papers in each branch in Semesters III and IV shall be continuously evaluated. 25% of the
marks will be reserved for the Laboratory Record/ Sessional work of the candidates and 15% marks for viva-
voce. In Semester IV, the practical marks will be divided between practicals (100 marks) and Research Project
(100 marks).
(3) 30 marks (24 marks for internal exam and 6 marks for attendance) in each theory paper are reserved for internal
assessment.
(4) Mathematics upto the +2 level is a prerequisite for Open Electives from Physical Chemistry.
SCHEME OF EXAMINATIONS
1. English shall be the medium of instruction and examination.
2. Examinations shall be conducted at the end of each Semester as per the Academic Calendar
notified by the University of Delhi.
3. The system of evaluation shall be as follows:
3.1 Each course will carry 100 marks, of which 30 marks shall be reserved for internal assessment
based on classroom participation, seminar, term courses, tests and attendance. The weightage
given to each of these components shall be decided and announced at the beginning of the
semester by the individual teacher responsible for the course. Any student who fails to
participate in classes, seminars, term courses, tests, will be debarred from appearing in the
end-semester examination in the specific course and no Internal Assessment marks will be
awarded. His/her Internal Assessment marks will be awarded as and when he/she attends
regular classes in the course in the next applicable semester. No special classes will be
conducted for him/her during other semesters.
3.2 The remaining 70 marks in each paper shall be awarded on the basis of a written
examination at the end of each semester. The duration of the written examination for each
paper shall be three hours.
3.3 A candidate is allowed to reappear ONLY in THEORY papers to improve his/her
previous performance.
4. Examinations for courses shall be conducted only in the respective odd and even semesters as
per the Scheme of Examinations. Regular as well as Ex-Students shall be permitted to
appear/ re-appear/ improve in courses of Odd Semesters only at the end of Odd Semesters
and courses of Even Semesters only at the end of Even Semesters.
PASS PERCENTAGE
• Minimum marks for passing the examination in each semester shall be 40% in each paper and
45% in the aggregate of a semester.
• No student would be allowed to avail of more than 3 chances to pass any paper, inclusive of
the first attempt.
11
CRITERIA FOR PROMOTION AND AWARD OF DEGREE
• For promotion from Part I to Part II, the student must pass at least 4 theory papers and also the
practical examination (pass percentage 40%).
• A candidate will be awarded the M.Sc. degree at the end of Semester IV, provided he / she
has passed all theory papers of Part – I and Part – II and practicals, separately, by securing at
least 40% marks in each paper.
DIVISION CRITERIA
Successful candidates will be classified on the basis of the combined results of Part–I and Part-II
examinations as follows:
st
Candidates securing 60% and above : I Division
nd
Candidates securing between 50% and 59.99% : II Division
All others (securing between 40% and 49.99%) : Pass
SPAN PERIOD
No student shall be admitted as a candidate for the examination for any of the Parts/ Semesters after
the lapse of 4 years from the date of admission to Part-I/ Semester-1 of the M. Sc. Chemistry
Programme.
ATTENDANCE REQUIREMENT
No student shall be considered to have pursued a regular course of study unless he/ she is certified by
the Head, Department of Chemistry, University of Delhi, to have attended 75% of the total number of
lectures, tutorials and seminars conducted in each semester, during his/ her course of study. Provided
that he/ she fulfils other conditions, the Head, Department of Chemistry, may permit a student who
falls short of the required percentage of attendance by not more than 10 per cent of the lectures,
tutorials and seminars conducted during the semester, to the next Semester.
12
DETAILED COURSES
M. Sc. PART I
SEMESTER – I
Paper 101- Inorganic Chemistry-I (Core course 1) (100 Marks/ 4 Credits)

Course A: Stability constants of metal complexes and their applications
Stoichiometric and thermodynamic equilibrium constants, stepwise formation of complexes,
formation functions, φ, n and αC and relationship between different functions. Calculation of stability
constants. Graphical Methods: using sets of data {φ, [A]}; {αC, [A]} and { n , [A]}.
Curve fitting method, Elimination method, Numerical method, Potentiometric method, Method of
corresponding solutions, Ion exchange method, Solvent extraction, Polarographic method and
Spectrophotometric methods, which include Job's method of continuous variation, Logarithmic
method, Bent and French mole ratio method. Turner and Anderson methods and Yatsimirskiis
method.
Analytical applications of complex formation; gravimetric analysis, complexometric titrations
(Conditional constants, titration curves, titration error, detection of end point using metal indicators
and instrumental methods. Indicator errors, Indicator correction, etc. Simultaneous titrations, stepwise
titrations, back titrations). Use of masking and demasking agents in complexometric titrations.
Course B: Supramolecular and Photoinorganic Chemistry

Introduction: Molecules and Supramolecules, Supermolecules, Large Molecules Classification,
Nomenclature, Thermodynamic and Kinetic selectivity, Supramolecular interactions, Supramolecular
host design, Macrocyclic versus acyclic hosts, Chelate Macrocyclic and macrobicyclic hosts, High
dilution synthesis, Template synthesis
Molecular recognition: Receptors, design and synthesis of co-receptors and Multiple recognition,
Hydrogen bonds, strong, weak and very weak H-bonds, Utilisation of H-bonds to create
supramolecular structures, Use of H-bonds in crystal engineering and molecular recognition, Chelate
and macrocyclic effects.
Cation binding hosts, binding of anions, binding of neutral molecules, binding of organic molecules.
Redox reactions of metal complexes in excited states, excited electron transfer, examples using
2+ 3+
[Ru(bpy)3] complex and [Fe(bpy)3] complex. Role of spin-orbit coupling, life-times of excited
states in these complexes.
Metal complex sensitizers: Electron relay, semiconductor supported metal oxide systems, water-
photolysis, nitrogen fixation and CO2 reduction.
Recommended Texts:
1. Inczedy, J. Analytical applications of complex equilibria Halsted Press: New York, NY (1976).
2. Martell, A. E. & Calvin, M. Chemistry of the Metal Chelate Compounds. Prentice-Hall: N. Y. (1952).
3. Ringbom, A. Complexation in Analytical Chemistry Wiley: New York (1963).
4. Hartley, F. R., Burgess, C. & Alcock, R. M. Solution Equilibria. Prentice-Hall: Europe (1980).
5. Beck, M. T. Chemistry of Complex Equilibria van Nostrand Reinhold: New York (1970)
6. Rossotti, F. J. C. & Rossotti, H. The Determination of Stability Constants McGraw Hill: London
(1961).
rd
7. Progress in Inorganic Chemistry, Vol. 18, 3 Ed.
8. Lehn, J. M. Supramolecular Chemistry: Concepts & Perspectives Wiley-VCH (1995).
13
9. Balzani, V. Photochemistry of Coordination Compounds Academic Press (1970).
10. Desiraju, G. R., Ed. Perspectives in Supramolecular Chemistry, Vol. 2: Crystal Engineering and
Molecular Recognition Wiley: Chichester (1995).
11. Atwood, J. L. & Steed, J. W. Supramolecular Chemistry: A Concise Introduction John Wiley & Sons
(2000).
12. Adamson, A. W. & Fleischauer, P. D. (Eds.) Concepts of Inorganic Photochemistry, Wiley: New York
(1975).
Practical core course 1 (50 Marks/ 2 credits)

Inorganic Chemistry - 101
1. Quantitative analysis of mixtures of metal ions by complexometric titrations (mixture of two
metals) with the use of masking and de-masking agents.
2. Any other experiments done in the class during the semester.
Paper 102- Organic Chemistry-I (Core course 2) (100 Marks/ 4 Credits)

Course A: Reactive Intermediates in Organic Chemistry
A review of reaction mechanisms including methods of determination.
Linear free energy relationships and their applications (Hammett equation and modifications).
Carbocations: Classical and non-classical, neighbouring group participation, ion-pairs, molecular
rearrangements in acyclic, monocyclic and bicyclic systems, stability and reactivity of bridge-head
carbocations.
Carbanions: Generation, structure and stability, ambident ions and their general reactions; HSAB
principle and its applications.
Free Radicals: Generation, structure, stability and reactions, cage effects; radical-cations & radical-
anions, SRN1 mechanisms.
Carbenes: Formation and structure, reactions involving carbenes and carbenoids.
Nitrenes: Generation, structure and reactions of nitrenes.
Arynes: Generation and reactivity of arynes, nucleophilic aromatic substitution reactions, S NAr
mechanism; Ipso effect.
Course B: Stereochemistry of Organic Compounds

Molecular symmetry and chirality: Symmetry operations and symmetry elements, point group
classification and symmetry number.
Stereoisomerism: Classification, racemic modification, molecules with one, two or more chiral
centres; Configuration nomenclature, D L, R S and E Z nomenclature. Axial and planar chirality and
helicity (P & M); Stereochemistry and configurations of allenes, spiranes, alkylidine cycloalkanes,
adamantanes, catenanes, biphenyls (atropisomerism), bridged biphenyls, ansa compounds and
cyclophanes.
Topicity and prostereoisomerism: Topicity of ligands and faces and their nomenclature;
Stereogenicity, chirogenicity, and pseudoasymmetry, stereogenic and prochiral centres.
Simple chemical correlation of configurations with examples, quasiracemates.
Cyclostereoisomerism: Configurations, conformations and stability of cyclohexanes (mono-, di-, and
trisubstituted), cyclohexenes, cyclohexanones, halocyclohexanones, decalins, decalols and decalones.
14
Asymmetric induction: Cram’s, Prelog’s and Felkin-Ahn model; Dynamic stereochemistry (acyclic
and cyclic), Qualitative correlation between conformation and reactivity, Curtin-Hammett Principle.
Molecular dissymmetry and chiroptical properties: Linear and circularly polarised lights, circular
birefringence and circular dichroism, ORD and CD curves, Cotton effect. The axial haloketone rule,
octant diagrams, helicity, and Lowe’s rule. Application of ORD and CD to structural and
stereochemical problems.
Recommended Texts:
1. Carey, F.A. & Sundberg, R. J. Advanced Organic Chemistry, Parts A & B, Plenum: U.S. (2004).
2. Eliel, E. L. Stereochemistry of Carbon Compounds Textbook Publishers (2003).
3. Finar, I. L. & Finar, A. L. Organic Chemistry Vol. 2, Addison-Wesley (1998).
4. Finar, I. L. Organic Chemistry Vol. 1, Longman (1998).
5. Lowry, T. H. & Richardson, K. S. Mechanism and Theory in Organic Chemistry Addison-Wesley
Educational Publishers, Inc. (1981).
6. Nasipuri, D. N. Stereochemistry of Organic Compounds: Principles & Applications South Asia Books
(1994).
7. March, J. Advanced Organic Chemistry John Wiley & Sons (1992).
8. Singh S.P. and Om Prakash. Reaction Mechanism Laxmi Publications, Delhi (2017-18)
9. Kumar and Singh S.P. Pericyclic Reactions. Academic Press, London (2017-18)
Practical core course 2 (50 Marks/ 2 credits)

Organic Chemistry - 102
i) Measurement of optical rotation values, calculation of ee/de ratios and determination of
specific rotation
ii) Chemical resolution of racemic mixtures of acids with chiral amines or amines with chiral
acids
iii) Analytical and preparative TLCs (mixtures containing three or more compounds, natural
extracts and use of different developing agents)
iv) Preparations involving stereochemical aspects (geometrical isomers and steroisomers) and
different reactive intermediates:
(a) Condensation reaction,
(b) Bromine addition,
(c) Carbene addition,
(d) Nucleophilic aromatic/aliphatic substitution reaction,
(e) Rearrangement reactions involving carbocations and carbanions
v) Applications of UV and CD spectroscopy
Paper 103 - Physical Chemistry-I (Core course 3) (100 Marks/ 4 Credits)
Course A: Quantum Chemistry and Approximate Methods
Postulates of Quantum mechanics, Linear and Hermitian operators, Turn-over rule, Commutation of
operators and Uncertainty principle.
15
Some exactly soluble problems: Particle in a box (1-D, 2-D & 3-D) and ring. Concept of degeneracy
and Jahn-Teller distortion.
Simple harmonic oscillator problem and its solution using series solution or factorization method.
Calculation of various average values.
Angular momentum operators, Eigenvalues and eigen-functions, Rigid rotator and hydrogen atom
Complete solution. Radial distributions.
Approximate methods: First order time-independent perturbation theory for non-degenerate states.
Variation theorem and variational methods. Use of these methods illustrated with some examples
(particle in a box with a finite barrier, anharmonic oscillator, approximate functions for particle in a
box and hydrogen atom).
HMO method and its applications: π-Electron approximation, Huckel Molecular Orbital Theory of
conjugated systems, Calculation of properties- Delocalization energy, electron density, bond order,
non-alternant hydrocarbons. Pairing theorem. Electronic and ESR spectra. Effect of substituents on
spectra. Reactivity and electro-cyclic ring closures.
Course B: Mathematical and quantum methods
Differential equations, partial differential equations, series solutions and special functions, linear
vector spaces, transformations of coordinate matrix, representation of operators, eigenvalue problem,
orthonormal sets, closure relations, projection operators, Fourier and Laplace transforms.
Ladder operators and recursion relations of Hermite polynomials, Generating functions, Rodrigues
Representation. Derivation of H-atom (energy quantization), Virial theorem and its applications to
harmonic oscillator and H-like atoms.
Ground and excited state of helium atom. Pauli’s Exclusion principle, Many-electron atoms. Concept
of spin and determinantal wavefunctions. Qualitative treatment of Hatree theory and Hartree-Fock
SCF procedure through Slater Determinant wavefunctions.
illustrated with some examples (particle in a box with a finite barrier, anharmonic oscillator,
approximate functions for particle in a box and hydrogen atom).
Ground and excited state of helium atom. Pauli’s Exclusion principle. Many-electron atoms.
Concept of spin and determinantal wavefunctions. Qualitative treatment of Hartree theory and
Hartree-Fock SCF procedure.
Chemical bonding: Born-Oppenheimer approximation. Variational treatment of hydrogen
molecule ion. Valence bond and MO (LCAO) treatment of hydrogen molecule. Comparison
of the MO and VB treatments and their equivalence limit. Configuration Interaction.
Extension of MO theory to other systems- Homonuclear and heteronuclear diatomics,
polyatomics, Walsh diagrams for dihydrides, linear and bent triatomics.
Recommended Texts:
1. Lowe, J. P. & Peterson, K. Quantum Chemistry Academic Press (2005).

2. McQuarrie, D. A. Quantum Chemistry Viva Books Pvt Ltd.: New Delhi (2003).
3. Mortimer, R. G. Mathematics for Physical Chemistry 2nd Ed. Elsevier (2005).
16
4. Pilar F. L. Elementary Quantum Chemistry 2nd Ed., Dover Publication Inc.: N.Y. (2001).
5. Atkins, P. W. & Paula, J. de Atkin’s Physical Chemistry 8th Ed., Oxford University Press
(2006).
6. Levine, I. L. Quantum Chemistry 5th Ed., Prentice-Hall Inc.: New Jersey (2000).
7. Engel, T. & Reid, P. Physical Chemistry Benjamin-Cummings (2005).
8. McQuarrie, D. A. & Simon, J. D. Physical Chemistry: A Molecular Approach 3 rd Ed., Univ.
Science Books (2001).
9. Silbey, R. J., Alberty, R. A. & Bawendi, M. G. Physical Chemistry 4th Ed. Wiley (2004)
Practical core course 3 (50 Marks/ 2 Credits)

Physical Chemistry - 103
Chemical Kinetics
1. Determine the specific rate constant for the acid catalyzed hydrolysis of methyl acetate by the
Initial Rate Method. Study the reaction at two different temperatures and calculate the
thermodynamic parameters.
2. Compare the strengths of hydrochloric acid and sulphuric acid by studying the rate of
hydrolysis of methyl acetate.
3. Study the saponification of ethyl acetate with sodium hydroxide volumetrically.
Conductometry
1. (i) Determine the Cell Constant of the given conductivity cell at room temperature and study
the equivalent conductance versus square root of concentration relationship of a strong
electrolyte (KCl or NaCl) and weak electrolyte (acetic acid).
(ii) Determine the equivalent conductance at infinite dilution for acetic acid by applying
Kohlrausch’s law of independent migration of ions.
(iii) Determine the equivalent conductance, degree of dissociation and dissociation constant
(Ka) of acetic acid.
2. (i) Study the conductometric titration of hydrochloric acid with sodium carbonate and
determine the concentration of sodium carbonate in a commercial sample of soda ash.
(ii) Study the conductometric titration of potassium sulphate solution vs. barium chloride
solution
3. Study the conductometric titration of
(i) Acetic acid vs. sodium hydroxide,
(ii) Acetic acid vs. ammonium hydroxide,
(iv) HCl vs. NaOH
Comment on the nature of the graphs.
4. Study the stepwise neutralization of a polybasic acid e.g. oxalic acid, citric acid, succinic acid
by conductometric titration and explain the variation in the plots.
Potentiometry
1. Titrate hydrochloric acid and sodium hydroxide potentiometrically.
(ii) Determine the dissociation constant of acetic acid potentiometrically.
(iii) Titrate oxalic acid and sodium hydroxide potentiometrically.
17
2. Titrate a mixture of
(i) Strong and weak acids (Hydrochloric and acetic acids)
(ii) Weak acid (acetic acid) and dibasic acid (oxalic acid)
(iii) Strong acid (hydrochloric acid) and dibasic acid (oxalic acid) versus sodium
hydroxide.
3. Titrate a solution of Mohr's salt against potassium permanganate potentiometrically. (ii).
Titrate a solution of Mohr’s Salt and potassium dichromate potentiometrically.
Computational Methods
Familiarity with word processing, electronic spreadsheets, data processing, mathematical packages,
chemical structure drawing and molecular modelling.
(Note. Any other experiment may be introduced during the year)
SEMESTER – II
Paper 201-Inorganic Chemistry-II (Core course 4) (100 Marks/ 4 Credits)
Course A: Group Theory and its Applications

Molecular symmetry: Symmetry elements and symmetry operations, definition of group and its
characteristics, subgroups, classes, similarity transformation.
Products of symmetry operations, equivalent atoms and equivalent symmetry elements, relations
between symmetry elements and operations, classes of symmetry operations, point groups and
classification.
Symmetry: Optical activity and dipole moment.
Representation of groups, reducible and irreducible representations. The Great Orthogonality theorem,
character tables, position vector and base vector as basis for representation.
Wavefunctions as bases for irreducible representations (p- and d-orbitals). Direct product.
Spectral transition probability, vibronic coupling, non-centrosymmetric complexes, polarization of
allowed transitions.
Application of Group Theory in Infrared and Raman Spectroscopy.
SALCs, projection operators, illustrative examples.
Hybridization and its applications, Hybrid orbitals as Linear Combinations of Atomic Orbitals.
Selected examples. MO diagram using Group Theory.
Symmetry and chemical reactions.
Course B: Chemistry of d-and f-block elements:

Term-symbols, Russel-Saunders states, Crystal field theory and splitting in Oh, Td, D4h and C4v
systems, Orgel and Tanabe-Sugano diagrams, determination of Dq and Racah parameters, oxidation
states and electronic absorption spectra of complex ions. Spectrochemical series and effects of
covalency. Nephelauxetic series, magnetic properties of transition metal complexes and lanthanides,
metal-metal bonds, cluster compounds of d-block elements, poly-oxo metallates of Ru, Os, Mo.
Structure and bonding in complexes containing π-acceptor ligands. Relativistic effects affecting the
properties of heavier transition elements.
18
Recommended Texts:
1. Cotton, F. A. Chemical Applications of Group Theory Wiley Interscience: N.Y (1990).
2. Jaffe, H. H. & Orchin, M. Symmetry in Chemistry Dover Publications (2002).
3. Hatfield, W. F. & Palmer, R. A. Problems in Structural Inorganic Chemistry W. A. Benjamin, Inc.:
N.Y (1971).
4. Hatfield, W. E. & Parker, W. E. Symmetry in Chemical Bonding & Structure C. E. Merrill Publishing
Co.: USA (1974).
5. Bishop, D. M. Group Theory and Chemistry, Clarendon Press: Oxford, U.K. (1973).
nd
6. Shriver, D. F., Atkins, P. W. & Langford, C. H. Inorganic Chemistry, 2 Ed., Oxford Univ. Press
(1998).
7. Purcell, K. F. & Kotz, J. C. Inorganic Chemistry, W. B. Saunders and Co.: N. Y. (1985).
8. Wulfsberg, G. Inorganic Chemistry Univ. Science books: USA (2000); Viva Books: New Delhi.
9. Sutton, D. Electronic Spectra of Transition Metal Complexes McGraw-Hill: New York (1968).
10. Mabbs, F. E. & Machin, D. J. Magnetism and Transition Metal Complexes Chapman and Hall: U.K.
(1973).
11. Drago, R. S. Physical Methods in Chemistry W. B. Saunders Co.: U.K. (1977).
Practical Core Course 4 (50 Marks/ 2 Credits)

Inorganic Chemistry - 201
1. Qualitative analysis of mixtures of salts including rare element salts (soluble and insoluble)
containing eight radicals including interfering ions.
2. Determination of some metal ions, such as iron, nickel, etc. by colorimetric method.
3. Any other experiments done in the class during the semester.
Paper 202- Organic Chemistry-II (Core course 5) (100 Marks/ 4 Credits)

Course A: Spectroscopy of Organic Compounds
13 19 31
PMR: Natural abundance of C, F and P nuclei; The spinning nucleus, effect of external
magnetic field, precessional motion and frequency, Energy transitions, Chemical shift and its
measurements. Factors influencing chemical shift, anisotropic effect; Integrals of protons, spin-spin
coupling, splitting theory, magnitude of coupling constant; Simple, virtual and complex spin-spin
coupling; Chemical and magnetic equivalence, proton exchange, factors affecting the coupling - First
and non-first order spectra; Simplification of complex spectra (solvent effect, field effect, double
resonance and lanthanide shift reagents) and NOE experiments (NOESY, HOESY, ROESY, etc.).
Applications of PMR in structural elucidation of simple and complex compounds.
13 1
CMR: Resolution and multiplicity of C NMR, H-decoupling, noise decoupling, broad band
decoupling; Deuterium, fluorine and phosphorus coupling; NOE signal enhancement, off-resonance,
proton decoupling, Structural applications of CMR. DEPT and INEPT experiments; Introduction to
2D-NMR; COSY, HMQC and HETEROR spectra.
MASS: Theory, instrumentation and modifications; Unit mass and molecular ions; Important terms-
singly, doubly/multiple charged ions, metastable peak, base peak, isotopic mass peaks, relative
+
intensity, FTMS, etc.; Recognition of M ion peak; Ionization methods (EI, CI, FAB, ESI, APCI and
MALDI), General fragmentation rules: Fragmentation of various classes of organic molecules,
including compounds containing oxygen, sulphur, nitrogen and halogens; α-, β-, allylic and benzylic
cleavage; McLafferty rearrangement, ortho effect etc.
Structure elucidation of organic compounds using IR, NMR and Mass Spectra
19
Course B: Reagents and Methods in Organic Synthesis
Organosilicone Compounds: Preparation and applications in organic synthesis.
Applications of Pd(0) and Pd(II) complexes in organic synthesis: Stille, Suzuki and Sonogashira
coupling, Heck reaction and Negishi coupling.
Preparation and applications of lithium organocuparates.
Reductions: Stereochemistry, stereoselection and mechanism of catalytic hydrogenation and metal-
liquid ammonia reductions.
Hydride transfer reagents: Sodium borohydride, sodium cyanoborohydride, lithium aluminium
hydride and alkoxy substituted LAH reducing agents, DIBAL; Applications of hydroboration
(reductions, oxidations and cabonylations): diborane, diisoamylborane, thexylborane, 9-BBN,
isopinocamphenyl and diisopinocamphenyl borane.
Homogeneous hydrogenations: Mechanisms and applications using Rh, Ru and other metal
complexes.
Oxidations: Scope of the following oxidizing reagents with relevant applications and mechanisms:
DDQ, SeO2, Tl(NO3)3, Sharpless Asymmetric epoxidation, Asymmetric hydroxylation and
aminohydroxylation.
Recommended Texts:
1. Carruthers, W. Modern Methods of Organic Synthesis Cambridge University Press (1996).
3. Kemp, W. Organic Spectroscopy 3rd Ed., W. H. Freeman & Co. (1991).
4. Silverstein, R. M., Bassler, G. C. & Morrill, T. C. Spectroscopic Identification of Organic
Compounds John Wiley & Sons (1981).
5. Pavia, D. L.; Lampmann, G. M.; Kriz, G. S.; Vyvyan, J. R. Introduction to Spectroscopy Cengage
Learning (2014).
7. Organic Structures from spectra; L. D. Field, S. Sternhell and J R Kalman, John Wiley & Sons
Ltd., 2007
Practical Core Course 5 (50 Marks/ 2 credits)
Organic Chemistry-202
A. Organic Synthesis
i) Protection and deprotection reactions of carboxylic acids, amines, alcohols, 1,2-
diols, aldehydes/ketones, etc.
ii) Oxidation reactions of alcohols, aldehydes, etc.
iii) Reduction reactions of aldehydes/ ketones, carboxylic acids, carbon-carbon
multiple bonds, nitro compounds
iv) Metals/ metal salts catalyzed coupling reactions
v) Diels-Alder reactions
vi) Bromination reactions involving allylic/ benzylic bromination and aromatic
substitution reactions
vii) Diazotisation reactions for substitutions and couplings
viii) Condensation reactions
ix) Esterification, transesterification and hydrolysis reactions
x) Preparation of phenoxyacetic acids and 2,4-D (2, 4-dichlorophenoxyacetic acid)
B. Application of IR spectra and introduction to NMR spectra of simple compounds
20
Paper 203- Physical Chemistry-II (Core course 6) (100 Marks/ 4 Credits)
Course A: Statistical Mechanic and Thermodynamics

Fundamentals: Idea of microstates and macrostates. Concept of distributions- Binomial &
multi-nomial distributions for non-degenerate and degenerate systems, Thermodynamic
probability and most probable distribution. Canonical and other ensembles. Statistical
mechanics for systems of independent particles and its importance in chemistry. Types of
statistics: Boltzmann, Bose-Einstein and Fermi-Dirac statistics. Thermodynamic probability
(W) for the three types of statistics. Derivation of distribution laws (most probable
distribution) for the three types of statistics. Lagrange’s undetermined multipliers. Stirling’s
approximation, Molecular partition function and its importance. Assembly partition function.
Applications to ideal gases: The molecular partition function and its factorization. Evaluation
of translational, rotational and vibrational partition functions for monatomic, diatomic and
polyatomic gases. The electronic and nuclear partition functions. Calculation of
thermodynamic properties of ideal gases in terms of partition function. Statistical definition
of entropy. Ortho- and para-hydrogen, statistical weights of ortho and para states, symmetry
number. Calculation of equilibrium constants of gaseous solutions in terms of partition
function, perfect gas mixtures.
Einstein theory and Debye theory of heat capacities of monatomic solids.
Third law of thermodynamics, Residual entropy.
Course B: Macromolecules, Electrochemistry and Kinetics

Macromolecules: Concepts of number average and mass average molecular weights. Methods
of determining molecular weights (osmometry, viscometry, sedimentation equilibrium
methods). Theta state of polymers. Distribution of chain lengths. 1-D random walk model in
detail, Average end-to-end distance.
Electrochemistry: Solutions: Activity coefficients and ion-ion interactions. Physical
significance of activity coefficients, mean activity coefficient of an electrolyte and its
determination. Derivation of the Debye-Hückel theory of activity coefficients (both point ion
size and finite ion size models). Excess functions.
Theories of reaction rates: Collision theory. Potential energy surfaces (basic idea). Transition
state theory (both thermodynamic and statistical mechanics formulations). Theory of
unimolecular reactions, Lindemann mechanism, Hinshelwood treatment, RRKM model
(qualitative treatment).
Solution kinetics: Factors affecting reaction rates in solution. Effect of solvent and ionic
strength (primary salt effect) on the rate constant. Secondary salt effects.
Recommended Texts:
1. McQuarrie, D. A. Statistical Mechanics Viva Books Pvt. Ltd.: New Delhi (2003).
2. Bagchi B. Statistical Mechanics for Chemistry and Material Science, CRC Press (2018).
3. L. D. Landau and E. M. Lifshitz, Statistical Mechanics, Part I, Butterworth-Heinemann, 3rd ed. (2005).
4. J. M. Bockris and A. K. N. Reddy, Modern Electrochemistry 1 (Ionics), Springer (2006).
3. Laidler, K. J. Chemical Kinetics 3rd Ed., Benjamin Cummings (1997).
4. Billmeyer, F. W. Textbook of Polymer Science 3rd Ed. Wiley-Interscience: New York (1984).
5. Atkins, P. W. & Paula, J. de Atkin’s Physical Chemistry 8th Ed., Oxford University Press (2006).
21
6. McQuarrie, D. A. & Simon, J. D. Physical Chemistry: A Molecular Approach 3rd Ed., Univ. Science
Books (2001).
Practical Core Course 6 (50 Marks/ 2 Credits)

Physical Chemistry (50 marks) (Core practical 6)
CHEMICAL KINETICS
1. Determine the specific reaction rate of the potassium persulphate-iodide reaction by the Initial
Rate Method.
2. Study the kinetics of the iodination of acetone in the presence of acid by the Initial Rate Method.
CONDUCTOMETRY
1. Study the conductometric titration of a mixture of a strong and weak acid.
2. Titrate a moderately strong acid (salicylic/ mandelic acid) by the
(a) salt-line method
(b) double alkali method.
3. Titrate a mixture of copper sulphate, acetic acid and sulphuric acid with sodium hydroxide.
4. Titrate a tribasic acid (phosphoric acid) against NaOH and Ba(OH)2 conductometrically.
5. Titrate magnesium sulphate against BaCl2 and its reverse titration
6. Estimate the concentration of each component of a mixture of AgNO3 and HNO3 by
conductometric titration against NaOH.
7. Determine the degree of hydrolysis of aniline hydrochloride.
POTENTIOMETRY
1. Determine the solubility and solubility product of an insoluble salt, AgX (X=Cl, Br or I)
potentiometrically.
2. Determine the mean activity coefficient (γ±) of 0.01 M hydrochloric acid solution.
3. Titrate phosphoric acid potentiometrically against sodium hydroxide.
4. Find the composition of the zinc ferrocyanide complex by potentiometric titration.
5. Titrate potentiometrically solutions of
(a) KCl/ KBr/ KI;
(b) mixture of KCl + KBr + KI and determine the composition of each component in the
mixture.
2+ 4+
6. Titrate Fe with Ce potentiometrically.
7. Determine zinc in the presence of calcium by potentiometric titration.
8. Verify the Debye-Hückel theory through the solubility of ionic salts.
(Note: Depending on availability of time, some experiments may be added/deleted during the semester.
22
M.Sc. Part II
SEMESTER – III
Paper 301- Inorganic Chemistry-III (Core course 7) (100 Marks/ 4 Credits)
Course A: Inorganic Reaction Mechanisms
Mechanisms of substitution reactions of tetrahedral, square planar, trigonal bipyramidal, square
pyramidal and octahedral complexes. Potential energy diagrams, transition states and intermediates,
isotope effects, Berry's pseudo rotation mechanism, factors affecting the reactivity of square planar
complexes, Swain-Scott equation, Trans effect and its application to synthesis of complexes.
Molecular rearrangement processes: Electron transfer reactions (outer and inner sphere), HOMO and
LUMO of oxidant and reluctant, chemical activation. Precursor complex formation and
rearrangement, nature of bridge ligands, fission of successor complexes, Two-electron transfers,
Synthesis of coordination compounds using electron transfer reactions, mixed valence complexes and
internal electron transfer.
Course B: Catalysis and Bio-inorganic Chemistry

Transition metal ion catalysts for organic transformations and their application in hydrogenation
(using symmetric and chiral organometallic catalysts), isomerization, olefin oxidation, carbonylation
and polymerization reactions. Role of metal ions in biological systems. Toxic metal ions and their
detoxification, chelation therapy/chelating agents in medicine. Recent advances in cancer
chemotherapy using chelates. Biological nitrogen fixation. Natural and synthetic oxygen carriers. Na-
K, ATPase or sodium pump. Futuristic aspects of organo transition metal complexes as catalysts and
in bio-inorganic chemistry.
Recommended Texts:
1. Katakis, D. & Gordon, G. Mechanism of Inorganic Reactions John Wiley & Sons: N. Y (1987).
2. Langford, H. &.Gray, H. B. Ligand Substitution Processes W. A. Benjamin: N. Y. (1966).
3. Tobe, M. in Inorganic Reaction Mechanisms F. C. Wadington, Ed., Thomas Nelson: London (1973).
nd
4. Hughes, M. N. The Inorganic Chemistry of Biological Processes, 2 Ed., Wiley (1981).
5. Masters, C. Homogeneous Transition Metal Catalysis Chapman & Hall (1981).
Paper 302-Organic Chemistry-II (Core course 8) (100 Marks/ 4 Credits)

Course A: Photochemistry & Pericyclic Reactions
Photophysical processes: Jablonskii diagram, energy pooling, exciplexes, excimers,
photosensitization, quantum yield, solvent effects, Stern-Volmer plot, delayed fluorescence, etc.
Photochemistry of alkenes: cis-trans isomerization, non-vertical energy transfer; photochemical
additions; reactions of 1,3-, 1,4- and 1,5-dienes; dimerizations.
Photochemistry of carbonyl compounds: Norrish type I & II reactions (cyclic and acyclic); α,β-
unsaturated ketones; β,γ-unsaturated ketones; cyclohexenones (conjugated); cyclohexadienones
(cross-conjugated & conjugated); Paterno–Buchi reactions; photoreductions.
Photochemistry of aromatic compounds: Isomerizations, skeletal isomerizations, Dewar and
prismanes in isomerization. Singlet oxygen reactions; Photo Fries rearrangement of ethers and
anilides; Barton reaction, Hoffman-Loefller-Freytag reaction.
Pericyclic reactions: Electrocyclic, cycloaddition, sigmatropic and chelotropic reactions; General
Orbital Symmetry rules, Frontier Orbital approach, PMO approach, Correlation diagrams for different
23
systems, Hückel–Mobius approach, General pericyclic selection rule and its applications, 1,3-
dipolar additions, Ene reaction.
Course B: Medicinal Chemistry

Introduction to the history of medicinal chemistry.
General mechanism of drug action on lipids, carbohydrates, proteins and nucleic acids, Drug
metabolism and inactivation. Receptor structure and sites.
Drug discovery, development, design and delivery systems.
General introduction to antibiotics, Mechanism of action of lactam antibiotics, non-lactam
antibiotics and quinilones; antiviral and anti-AIDS drugs.
Neurotransmitters, classes of neurotransmitters, Drugs affecting collingeric and adrenergic
mechanisms.
Anti-histamines, anti-inflammatory, anti-analgesics, anticancer and anti-hypertensive
drugs. New developments, e.g. gene therapy, anti-sense & anti-gene strategies and drug
resistance.
Recommended Texts:
2. Horspool, W. M. Aspects of Organic Photochemistry Academic Press (1976).
3. Lowry, T. H. & Richardson, K. S. Mechanism and Theory in Organic Chemistry Addison-
Wesley Educational Publishers, Inc. (1981).
5. Fleming, I., Pericyclic Reactions, Oxford Science Publications (1998).
6. Marchand, A. P. & Lehr, R. E. Pericyclic Reactions Academic Press (1977).
7. Gringauz, A. Introduction to Medicinal Chemistry: How Drugs Act and Why? John Wiley &
Sons (1997).
8. Patrick, G. L. Introduction to Medicinal Chemistry Oxford University Press (2001).
th
9. Lemke, T. L. & William , D. A., Foye’s Principles of Medicinal Chemistry, 5 Ed., USA,
(2002)
Paper 303- Physical Chemistry-III (Core course 9) (100 Marks/ 4 Credits)
Course A: Molecular Structure and Spectroscopy

Spectroscopic methods: Characterization of electromagnetic radiation. Born-
Oppenheimer approximation. Heisenberg’s Uncertainty Principle. Basic elements of
spectroscopy. Time dependent perturbation. Einstein coefficients. Lambert-Beer’s
law. Integrated absorption coefficients. Transition dipole moments and general
selection rules based on symmetry ideas.
Atomic spectra: Characterization of atomic states. Microstate and spin factoring
methods. Hund’s rules. Derivation of spin and orbital selection rules (based on
recursion relations of Legendre polynomials). Spectra of complex atoms. Zeeman and
Stark effects. Atomic photoelectron spectroscopy.
24
Introduction to rotational spectroscopy: Rotational spectroscopy of diatomic
molecules based on rigid rotator approximation. Determination of bond lengths and/
or atomic masses from microwave data. Effect of isotopic substitution. Non-rigid
rotator. Classification of polyatomic molecules. Energy levels and spectra of
symmetric top molecules and asymmetric top molecules. First order Stark effect.
Vibrational spectroscopy: Normal coordinate analysis of homonuclear and
heteronuclear diatomic molecules. Extension to polyatomic linear molecules.
Derivation of selection rules for diatomic molecules based on Harmonic oscillator
approximation. Force constants and amplitudes. Anharmonic oscillator. Overtones
and combination bands.
Dissociation energies from vibrational data. Vibration-rotation spectra, P, Q and R
branches. Breakdown of the Born-Oppenheimer approximation. Nuclear spin effect.
Symmetry of normal coordinates. Use of Group Theory in assignment of spectra and
selection rules for simple molecules.
Raman spectroscopy: Stokes and anti-Stokes lines. Polarizability ellipsoids.
Rotational and Vibrational Raman spectroscopy. Selection rules. Polarization of
Raman lines.
Course B: Diffraction Method, Electronic Spectroscopy, NMR & Mossbauer

Diffraction Methods. Atomic scattering factors. Scattering by a small crystal. Direct
and reciprocal lattice. Miller indices. Bragg’s law and Laue’s equations. Structure
factors. Systematic absences for different types of unit cells (primitive, face-centred,
body-centred, side-centred) and application to some common metal and metal salt
structures (rock salt, zinc blende). Space groups. Glide planes and screw axes.
Structure determination for organic crystals like naphthalene. Fourier series,
Patterson’s functions. Heavy atom method. Comparison of X-ray method with
electron and neutron diffraction methods.
Electronic spectroscopy: Diatomic molecules. Selection rules. Breakdown of
selection rules. Franck-Condon factors. Dissociation energies. Photoelectron
spectroscopy of diatomic (N2) and simple polyatomic molecules (H2O,
formaldehyde). Adiabatic and vertical ionization energies. Koopmans’ theorem.
Polyatomic molecules. Oscillator strengths. Use of Free Electron Model, HMO theory
and Group theory for polyenes and carbonyl compounds (formaldehyde). Qualitative
ideas of solvent effects- viscosity, polarity, hydrogen bonding.
Excited states: Deactivation. Jablonskii diagram. Fluorescence and phosphorescence
and factors affecting these. Calculation of excited state life-times from absorption
data. Quenching of fluorescence, Stern-Volmer equation.
NMR spectroscopy: Larmor precession. Mechanisms of spin-spin and spin-lattice
relaxations and quantitative treatment of relaxation. Quantum mechanical treatment of
the AB system. Selection rules and relative intensities of lines.
Principles of Mossbauer spectroscopy: Isomer shifts. Quadrupole and Nuclear
Zeeman splittings. Applications in structure determination.
25
Recommended Texts:
1. Hollas. J. M. Modern Spectroscopy 4th Ed., John Wiley & Sons (2004).
2. Barrow, G. M. Introduction to Molecular Spectroscopy McGraw-Hill (1962).
3. Kakkar, R., Atomic & Molecular Spectroscopy Cambridge University Press (2015).
4. Brand, J. C. D. & Speakman, J. C. Molecular Structure: The Physical Approach 2nd Ed., Edward
Arnold: London (1975).
5. Chang, R. Basic Principles of Spectroscopy McGraw-Hill, New York, N.Y. (1970).
6. Moore, W. J. Physical Chemistry 4th Ed. Prentice-Hall (1972).
7. Warren, B. E. X-Ray Diffraction Dover Publications (1990).
8. Bacon, G. E. Fifty Years of Neutron Diffraction Hilger (1987).
Paper 3101-Inorganic Chemistry (Special-I/ Open Elective 1)

Course A: Chemistry of Inorganic Rings, Cages and Metal Cluster Compounds
Chemistry of inorganic rings, cages and metal cluster compounds, borazines, phosphazenes,
polyhedral boranes, carboranes, metalloboranes and metallocarboranes.
Silicates and aluminosilicates
Classifications, structure, properties and applications of naturally occurring silicates and
aluminosilicates.
Syntheses of pillared clays, and zeolites.
Characterization of clays, pillared clays and zeolites from measurement of surface area,
surface activity pore size, distribution and interlayer spacing.
Application of clays, pillared clays and zeolites with emphasis of catalyses.
Course B: Introduction to the Solution of Multielectron Problems

Introduction to the solution of multielectron problems, the central field approximation,
angular momenta, step up and step down operators and their use in atomic spectra. Lande’s
interval rule. Evaluation of energy matrices using Slater’s method. Wave functions forming
basis for irreducible representations, direct product. Spherical harmonics and their linear
combinations. Operator equivalent technique.
The octahedral potential, contribution of spherical harmonics to the octahedral potential Vxyz.
Single
electron in a cubic field, quantitative basis (r,θ,φ) for the splitting of d orbitals to eg and t2g in
terms of Dq, multielectron systems - the weak and strong field cases. Generation of a secular
3 2
determinant for F term (d ) in weak field. Bethe’s method of descending symmetry. Non
octahedral fields, tetrahedral (including contribution of odd harmonics), trigonal and
tetragonal (including Ds & Dt parameters). Spin orbit coupling and its magnitude in
comparison to crystal field. Splitting of eg and t2g orbitals due to spin orbit coupling, for the
1 9 ’ ’
d and d case. The use of double groups D4 and O . Effect of spin orbit coupling on A, E
and T terms in octahedral fields.
Recommended Texts:
1. Ballhausen C. J. Introduction to Ligand Field Theory McGraw Hill Book Co.: N.Y (1962).
2. Marshal, C. E. The Physical Chemistry and Minerology of Soil Vol. I Soil Materials John
26
Wiley & Sons.
3. Wells, A. F. Structural Inorganic Chemistry Oxford University Press.
4. Adams, D. M. Inorganic Solids. An Introduction to Concepts in Solid-State Structural
Chemistry John Wiley & Sons
5. Azaroff, L. V. Introduction to Solids Tata McGraw Hill Publishing Co. Ltd.
6. Breck, D. W. Zeolites Molecular Sieves- Structure, Chemistry and Use. John Wiley & Sons.
Paper 3102-Inorganic Chemistry (Special II/ Open Elective 1)

Introduction to Nanochemistry
Course A: Properties of Nanomaterials

Introduction: Properties of materials & nanomaterials, role of size and shape in
nanomaterials.
Electronic Properties: Classification of materials: Metal, Semiconductor, Insulator, Band
structures, Brillouin zones, Mobility, Resistivity.
Magnetic Properties: Superparamagnetism, blocking. Important properties in relation to
nanomagnetism.
Optical Properties: Photoconductivity, Optical absorption & transmission,

Photoluminescence, Fluorescence, Phosphorescence, Electroluminescence.
Thermal Properties and Mechanical Properties;
Course B: Synthesis and Characterization of Nanomaterials

Chemical Methods: Metal nanocrystals by reduction, Solvothermal synthesis, Photochemical
synthesis, Electrochemical synthesis, Nanocrystals of semiconductors and other materials by
arrested precipitation, Thermolysis routes, Sonochemical routes, Post-synthetic size-
selective processing. Sol-gel, Micelles and microemulsions.
Biological Methods of Synthesis: Use of bacteria, fungi, Actinomycetes for nanoparticles
synthesis, Magnetotactic bacteria for natural synthesis of magnetic nanoparticles; Mechanism
of formation; Viruses as components for the formation of nanostructured materials; Synthesis
process and application, Role of plants in nanoparticle synthesis.
Characterization Techniques: X-ray diffraction, Scanning Probe Microscopy, SEM, TEM,
Optical microscope and their description, operational principle and application for analysis of
nanomaterials, UV-VIS-IR Spectrophotometers.
Recommended Texts:
1. Dupas, C., Houdy, P. & Lahmani, M. Nanoscience: Nanotechnology and Nanophysics,
Springer (2004)
2. Klabunde, K. J., Ed. Nanoscale Materials in Chemistry, Wiley Interscience (2001)
3. Kulkarni, S. K. Nanotechnology: Principles and Practices, Capitol Publishing Company
(2007)
4. Wilson, M., Kannangara, K., Smith, G., Simmons, M. & Raguse, B. Nanotechnology:
Basic Science and Emerging Technologies, Overseas Press (2005).
5. Poole Jr., C. P. & Ovens, F. J. Introduction to Nanotechnology, Wiley Interscience (2003)
6. Edelstein, A.S. & Cammarata, R. C., Ed. Nanomaterials: Synthesis, Properties and
Applications, Institute of Physics Publishing (1996)
27
7. Rao, C.N.R., Müller & Cheetham, A.K., Eds. The Chemistry of Nanomaterials: Synthesis,
Properties and Applications, Wiley-VCH Verlag GmbH & Co. KGaA, Weinheim
(2004)
8. Edelstein, A.S. & Cammarata, R.C., Ed. Nanomaterials: Synthesis, properties and
Applications, Institute of Physics Publishing (1996).
Paper 3201- Organic Chemistry (Special-I/ Open Elective-1) (100 Marks/ 4 Credits)
Chemistry of Life Processes and Bioactive Compounds
Course A: Chemistry of Life Processes

Introduction to metabolic processes: Catabolism and anabolism, ATP- currency of biological
energy, energy rich and energy poor phosphates, role of NADH, NADPH, FADH2, TPP,
coenzyme A, lipoic acid and biotin.
Carbohydrate metabolism: Glycolysis, fate of pyruvate under anaerobic conditions, citric acid
cycle, oxidative phosphorylation (electron transport system), gluconeogenesis, C4 pathway,
pentose phosphate pathway and photosynthesis.
Fatty acid metabolism: Even chain and odd chain (saturated and unsaturated) fatty acids,
ketone bodies, fatty acid anabolism, calorific values of food.
Protein metabolism and disorders: Degradation of amino acids (C3, C4, C5 family), urea
cycle, uric acid and ammonia formation.
Enzymes: Enzyme active sites, allosteric sites and mechanisms of their actions, e.g.
chymotrypsin, carboxypeptidase, lipases, etc.
Nucleic acids: Chemical and enzymatic hydrolysis, purine metabolism, structure and
functions of DNA, RNA (m-RNA, t-RNA, r-RNA), genetic code (origin, Wobble hypothesis
and other important features), genetic errors.
Course B: Bioactive Compounds

Vitamins: Classification, occurrence, chemistry of Vitamins A, C and E, structure elucidation
and synthesis, deficiency syndromes, etc.
Insect hormones: Introduction to BH, JH and MH, chemistry of JH, structure elucidation and
synthesis, structural analogs, biosynthesis; JH mimics– some structures; chemistry of
Juvabione.
Precocenes: Chemistry of Precocene I and II.
Antifeedants: Different classes of antifeedants; role of azadirachtin in IPM.
Pyrethroids: Introduction; structure elucidation and synthesis of pyrethroids, namely
pyrethrins, cinerins and jasmoline; Synthetic pyrethroids: Structure–activity relationships;
synthesis of various synthetic pyrethroids.
Insect pheromones: Semiochemicals, pheromones, primers and releasers, different classes of
pheromones, synthesis of different pheromones; advantages of pheromones over conventional
pesticides.
Hormones: General study of hormones including classification, mechanism of action of water
soluble and fat soluble hormones, secondary messengers, negative feedback mechanism;
Antifertility agents.
28
Recommended Texts:
1. Stryer, L. Biochemistry 4th Ed., W. H. Freeman & Co. (1995).
2. Zubay, S. Biochemistry Addison-Wesley (1983).
3. Litwak, G. Vitamins and Hormones, Academic Press, (2005)
4. Dugas, H. & Penney, C. Bioorganic Chemistry: A Chemical Approach to Enzyme Action
Springer-Verlag (1989).
Paper 3202- Organic Chemistry (Special-II/ Open Elective-1) (100 Marks/ 4

Credits)
Course A: Polymer Chemistry and Processing
Introduction: Polymers and their classification.
Synthesis of Polymers: Chemistry of radical, anionic and cationic polymerization; Zieglar–

Natta catalysts; Polycondensation and ring opening polymerization.
Methods of polymerization: Bulk, solution, suspension and emulsion polymerizations.

Geometry of the polymers: Homopolymers; copolymers; branched-polymers; crosslinked
polymers; random, alternating, block and graft copolymers; star polymers and dendrimers;
tacticity of polymers.
Characterization of polymers: Molecular weight determination of polymers; thermal

properties of polymers; Glass transition temperature; plasticizers.
Polymer Processing: Injection moulding, compression moulding, blow moulding, Extrusion

compounding, elastomer properties, vulcanization, reinforcement, fillers, plasticisers and
other additives.
Course B: Role of Catalysis in Chemical Synthesis
The art of catalysis, Thermodynamic data and catalyst designing, Metal catalyzed organic
reactions, characteristics of transition metals which make them suitable as catalysts;
Homogeneous and heterogeneous catalysts and their characterization.
Catalyst and molecular activation, Catalytic reaction and the 16 electron rule, Catalyts for fine
chemical synthesis, transition metal ion catalysts for organic transformations and their
applications in epoxidation of alkenes, isomerization of unsaturated molecules, Alkene
Metathesis, Oligomerisation and polymerization (Zeigler Natta polymerization), olefin
oxidation (Wacker Process), Hydroformylation (oxoreaction) , Fischer-Tropsch Reaction, The
water- Gas Shift Reaction, Monsanto Acetic Acid Process, Reppe Carbonylation,
Hydrocyanation, activation of C-H bond, Green Chemistry and Catalysis, Computer
applications in catalysis research.
Recommended Texts:
rd
1. Billmeyer Jr., F. W. Textbook of Polymer Science 3 Ed. Wiley-Blackwell (1984)
th
2. Odian , G. Principles of Polymerization 4 Ed. Wiley (2004)
29
3. Hodge, P. & Sherrington, D.C. Polymer-supported Reactions in Organic Synthesis John
Wiley & Sons (1980)
4. Collman J.P. & Hegedus Louis S., Principles and Application of Organotransition Metal
Chemistry, University Science Books (1980).
5. Elschenbroich C. & Salzer A. Organometallics: A Concise Introduction VCH (1989).
6. Roberts, S.M. & Poignant, G., Eds. Catalysis for Fine Chemical Synthesis, Volume 1-5, John
Wiley & Sons (2002)
7. Sheldon, R.A., Isabel, A. & Hanefeld U., Green Chemistry and Catalysis, Wiley-VCH (2007).
Paper 3301- Physical Chemistry (Special-I/ Open Elective 1) (100 Marks/ 4 Credits)
Irreversible Thermodynamics, Transport Phenomena, Surface Phenomena & Fast Reactions
Course A: Irreversible thermodynamics and transport phenomena

Meaning and scope of irreversible thermodynamics, Thermodynamic criteria for non-
equilibrium states, Phenomenological laws- Linear laws, Gibbs equation, Onsager’s
reciprocal relations, Entropy production- specific examples of entropy production,
Non-equilibrium stationary states, Prigogine’s principle of maximum entropy
production, Coupled phenomena. Some important applications.
Transport phenomena: Diffusion coefficients, Fick’s first and second laws, relation
between flux and viscosity, relation between diffusion coefficient and mean free path,
relation between thermal conductivity/viscosity and mean free path of a perfect gas,
Einstein relation, Nernst-Einstein equation, Stokes-Einstein equation, Einstein-
Smoluchowski equation.
Course B: Interfacial Phenomenon and Fast reaction
Surface phenomena: Surface active agents, classification of surface active agents,
micellization, hydrophobic interaction, critical micelle concentration (CMC), Krafft
temperature, Factors affecting the CMC of surfactants, counterion binding to micelles,
thermodynamics of micellization, solubilization, microemulsions, reverse micelles,
surface films (eletrokinetic phenomena), catalytic activity at surfaces. Electrode/
electrolyte interface; electrical double layer, electrode kinetics, Nernst equation.
Application of PES, ESCA and Auger spectroscopy to the study of surfaces.
Fast reactions: Luminescence and energy transfer processes, study of kinetics by
stopped-flow technique, relaxation method, flash photolysis and magnetic resonance
method. Kinetics of solid-state reactions.
Recommended Texts:
1. Katchalsky, A. & Curren, P. F. Non Equilibrium Thermodynamics in Biophysics Harvard
University Press: Cambridge (1965).
2. Kalidas, C. & Sangaranarayanan, M.V. Non-Equilibrium Thermodynamics: Principles &
Applications, Macmillan India Ltd. (2002).
3. Laidler, K. J. Chemical Kinetics 3rd Ed., Benjamin Cummings (1997).
4. Thomas, J. M. & Thomas, M. J. Principles and Practice of Heterogeneous Catalysis John Wiley
& Sons (1996).
5. Chorkendorff, Ib. & Niemantsverdriet, J. W. Concepts of Modern Catalysis and Kinetics Wiley-
VCH (2003).
30
7. McQuarrie, D. A. & Simon, J. D. Physical Chemistry: A Molecular Approach 3rd Ed., Univ.
8. Shaw, D. J. Introduction to Colloid and Surface Chemistry 2nd Ed. Butterworths (1970).
9. Adamson, A. W. & Gast, A. P. Physical Chemistry of Surfaces 6th Ed. Wiley Interscience.(1997)
SEMESTER - III
PRACTICALS SYLLABUS
Paper 3103: Practical Inorganic Chemistry - I (Elective practical 1) (200 Marks/ 8

credits)*
Part – A: Synthesis and Analysis
I. Synthesis of inorganic complexes/compounds and their characterization by various
physicochemical methods, viz. IR, UV, Visible, NMR spectroscopy, magnetic susceptibility
etc. Selection can be made from the following or any other from the existing literature.
(i) Metal acetylacetonates
Inorg. Synth. 1957, 5, 130; 1963, 1, 183.
(ii) Cis and trans isomers of [Co(en)2Cl2]Cl
J. Chem. Soc., 1960, 4369.
(iii) Ion-exchange separation of oxidation states of
vanadium. J. Chem., Educ., 1980, 57, 316; 1978, 55,
55.
(iv) Preparation of Ferrocene.
J. Chem. Educ. 1966, 43, 73; 1976, 53, 730.
(v) Preparation of triphenyl phosphene Ph3P, and its transition metal complexes.
(vi) Determination of Cr(III) complexes.
[Cr(H2O)6]NO3.3H2O; [Cr(H2O)4Cl2]Cl.2H2O; [Cr(en)3]Cl3; Cr(acac)3.
(vii) Tin(IV) iodide, Tin(IV) chloride, Tin(II) iodide.
Inorg. Synth. 1953, 4 119.
(viii) (N,N)-bis(salicyldehyde)ethylenediamine Salen H2; and its cobalt complex
[Co(Salen)]. J. Chem. Educ. 1977, 54, 443, 1973, 50, 670.
(ix) Reaction of Cr(III) with multidentate ligands, a kinetics experiment.
(x) Vanadyl acetylacetonate.
(xi) Mixed valence dinuclear complex of Mangenese(III,IV).
(x) Other new novel synthesis reported in literature from time to time
(xi) Any other experiments done in the class during the current academic semester.
Part – B: Instrumental based Analysis: Any three/four techniques covered in the semester
out of the following syllabus:
(1) Instrumental methods of analysis utilizing flame photometer, atomic absorption
31
spectrophotometer, pH-meter, potentiometer, turbidimeter, electrochemical methods,
separation of mixtures of metal ions by ion exchange chromatography.
(2) Synthesis and thermal analysis of group II metal oxalate hydrates.
(3) Any other experiments done in the class during the current academic semester.
Paper 3203: Practical Organic Chemistry - I (Elective practical 1) (200 Marks/ 8

Credits)*
Part A
1. Semi-micro qualitative analysis of single/polyfunctional compounds including
derivatization
2. Application of spectral data (IR, UV, NMR and mass) for structural elucidation
3. Isolation of natural products:
i) Isolation of caffeine from tea leaves
ii) Isolation of piperene from black pepper
iii) Isolation of β-carotene from carrots
iv) Isolation of lycopene from tomatoes
v) Isolation of limonene from lemon peel
vi) Isolation of Euginol from cloves
vii) Isolation of Cystine from human hair
viii) Isolation of DNA from Onion/ Strawberries
Part B
4. Quantitative analysis:
i) Estimation of glucose by chemical methods
ii) Estimation of amino acids by chemical methods
iii) Estimation of nitro group in organic compounds
iv) Estimation of iodine number by Vij’s solution
v) Estimation of protein, caffeine and glucose by UV/VIS spectra
(quantitative analysis also)
vi) Estimation of ascorbic acid by chemical/UV methods
vii) And other possible estimations
5. Advanced organic synthesis:
Multistage synthesis including photochemical methods; representative examples:
i) Benzophenone → benzopinacol → benzopinacolone
ii) Benzoin → benzil → benzilic acid
iii) Benzaldehyde → chalcone → chalcone epoxide
iv) Chalcone → chalcone dibromide → a-bromochalcone
v) Cyclohexanone → cyclohexanone oxime → caprolactone
vi) And other suitable multi-step synthesis
Paper 3302: Practical Physical Chemistry – I (Elective practical 1) (200 Marks/ 8

Credits)*
Set A
SPECTROPHOTOMETRY
1. Study the visible region absorbance spectra of KMnO4 and K2Cr2O7.
2. Study the influence of pH on the spectrum of potassium dichromate solution.
3. Determine the concentrations of KMnO4 and K2Cr2O7 in a mixture by the MLRA
method.
4. Study the effect of structure on the UV spectra of organic compounds.
32
5. Determine the solvent cut-off wavelengths for the given solvents.
6. Study the effect of solvent on the UV spectra of organic compounds (propanone).
7. Study the spectra of mesityl oxide/ benzophenone in different solvents and classify
the observed transitions in terms of n→π* and π→π* transitions. Discuss the shift in
transitions relative to those in acetone.
8. Determine the dissociation constant of phenolphthalein spectrophotometrically.
Set B
COLOURIMETRY
1. Verify Lambert-Beer’s law, and determine the concentration of
CuSO4/KMnO4/K2Cr2O7 in a solution of unknown concentration colourimetrically.
2. Determine the concentrations of KMnO4 and K2Cr2O7 in a mixture.
3. Study the kinetics of iodination of propanone colourimetrically in acidic medium.
4. Find the order and the energy of activation of the decomposition of the violet
coloured Ce(IV) oxidation product of N-phenylanthranilic acid using a colourimeter
(J. Chem. Ed., 327 (1976)).
5. Determine the amount of iron present in a sample using 1,10-phenathroline.
6. Determine the dissociation constant of an indicator (phenolphthalein)
colourimetrically.
7. Study the kinetics of the reaction of phenolphthalein with sodium hydroxide.
8. Study the kinetics of the reaction of crystal violet with sodium hydroxide.
Set C
COMPUTATIONAL TECHNIQUES
I. Use of spreadsheets and mathematical packages in data analysis and solving problems
in chemistry (e.g. potentiometric titrations, kinetics, regression, and solving
simultaneous equations).
II. Elements of the BASIC language, including strings and graphics.
Set D
CONDUCTOMETRY
1. Determine the critical micelle concentration of a surfactant (sodium lauryl sulphate) by the
conductivity method.
2. Study the effect of dielectric constant (ε) on the nature of the conductometric titration
between maleic acid and sodium methoxide using different combinations of methanol and
hexane as solvents.
3. Determine the velocity constant for the saponification of ethyl acetate conductometrically.
VISCOMETRY
4. Determine the molecular weight of a given macromolecule (PVP) by the viscosity method.
5. Determine the viscosity-average molecular weight of poly(vinyl alcohol) (PVOH) and the
fraction of “head-to-head” monomer linkages in the polymer.
NEPHELOMETRY
6. Estimate the concentration of sulphate ions in solution and in a sample of tap water by
precipitation with barium chloride.
7. Estimate chloride ions in a given solution/ water from various sources.
ULTRASONIC STUDIES
8. Find the ultrasonic sound velocity (u) and isentropic compressibility (Ks) for the following
pure solvents as a function of temperature: Water, DMF, DMSO, Methanol, Ethanol, 1-
propanol
33
9. Measure the ultrasonic sound velocities as a function of temperature over the whole
composition range for the following binary mixtures: DMF/Water, DMSO/Water, DMF/
Methanol, DMF/Ethanol, DMF/1-propanol, DMSO/Methanol, DMSO/Ethanol, DMSO/1-
propanol, Methanol/Water, Ethanol/Water, 1-propanol/Water.
SET E
NANOSCIENCE
1. Synthesize metallic (gold, silver, etc.) nanoparticles by reducing the corresponding salts
with tea extract and characterize using UV-Vis spectroscopy. Estimate the size of these
nanoparticles using the quantum mechanical equation for the particle in a 3D cubic box. Use
the statistical mechanics method to determine the average occupancy level at room
temperature.
2. Synthesize silver nanoparticles using a green approach and show its caqtalytic activity in
reduction of methyl orange and rhodamine. Also study the kinetics of this process.
3. Estimate the optical energy gap of CdS nanoparticles doped with MnS in microemulsion
media.
4. Study the effect of water/oil ratio in AOT isooctane based microemulsion on the particle
size and nandgap of CdS nanoparticles.
SET F
CHRONOAMPEROMETRY, CYCLIC VOLTAMMETRY, EIS DATA ANALYSIS

1. (a) Verify the Cottrell equation using potential step chronamperometry.
(b) The surface area of an electrode is determined via a chronoamperometric measurement.
3-
(c) Determine the diffusion coefficient of the ion [Fe(CN)6]
2. Record the effect of supporting electrolyte concentration on the Cottrell response.
3. Record the effect of solution viscosity on the Cottrell response and determine true area of a
Pt electrode.
4. Verify the Randles-Sevcik equation for cyclic voltammetry. Use a reversible system (10
mM mixture of K3[Fe(CN)6] and K4[Fe(CN)6] in 2 M KCl). Identify the peak current and
2+ 3+
peak potential at different scan rates. Verify the reversibility of Fe /Fe system by using
ratio cathodic and anodic of peak currents.
5. Find quantities such as
0
i) Formal potential (E ), (ii) Number of electrons transferred, (iii) Diffusion coefficient (D),
(iv) Area (A) and concentration (C) by using CV.
6. Determine the best fit model and extract electrochemical system parameters from the
given impedance data using equivalent circuit models, viz. Resistor capacitor, Randles,
Warburg, CPE, CPE with diffusion, etc.
(Note: Depending on availability of time, some experiments may be added/deleted during the semester
or interchanged with experiments from IV semester.)
34
SEMESTER IV
Inorganic Chemistry Special Papers
Paper 4101- Inorganic Chemistry (Special-III) (Elective paper 1) (100 Marks/ 4

Credits)
Spectral Techniques in Inorganic Chemistry
Course-A: Vibrational Spectroscopy, Mössbauer Spectroscopy, Magnetism & Mass
Spectrometry
Vibrational spectroscopy: Vibrational motion and energies, number of vibrational modes,
anharmonicity, absorption in infrared, FT spectrometers, cell systems, effects of phase on
spectra, vibrational spectra and symmetry, selection rules, symmetry of an entire set of
normal vibrations, F and G matrix. Raman spectra and selection rules, polarized and
depolarized Raman lines, resonance Raman spectroscopy, use of symmetry to determine the
number of active infrared and Raman lines, rotational fine structure in gas phase IR.
Nonresonance overtones and difference bands. Application of Raman and Infrared selection
rules to the determination of inorganic structures, bond strength frequency shift relations,
changes in spectra of donor molecules on coordination, change in symmetry on coordination.
Mossbauer spectroscopy: Doppler shift and recoil energy, isomer shift and its interpretation,
quadrupole interactions, effect of magnetic field on Mossbauer spectra, applications to metal
complexes, metal carbonyls, Fe-S cluster and tin compounds, etc. Partial quadrupole
splittings and geometry of the complexes.
Magnetism: Types of magnetic behaviour, magnetic susceptibilities, Pascal's constants,
paramagnetism in experimental simple systems where S = ½, van Vleck's equation, its
derivation and its applications. Spin-orbit coupling and susceptibility of transition metal ions
and rare earths; magnetic moments of metal complexes with crystal field terms of A, E and T
symmetry, T.I.P., intramolecular effects, antiferromagnetism and ferromagnetism of metal
complexes, super paramagnetism. High and low spin equilibria.
Mass spectrometry: Experimental arrangements and presentation of spectra, molecular ions,
appearance and ionization potential, fragmentation, ion reactions and their interpretation,
effect of isotopes on the appearance of a mass spectrum, molecular weight determination,
thermodynamic data. Application of mass spectrometry to inorganic compounds.
Course-B: Electronic Spectroscopy, NMR, EPR and NQR Spectroscopy,

Electronic spectroscopy: Vibrational and electronic energy levels in a diatomic molecule,
potential energy level diagram. Symmetry requirements for n to π* transitions, oscillator
strengths, transition moment integrals (electric dipole and magnetic dipole moment operator),
selection rules, spin orbit and vibronic coupling contributions, mixing of d and p orbitals in
certain symmetries. Polarized
absorption spectra. Survey of the electronic spectra of tetragonal complexes. Calculation of
Dq and β for Ni(II) Oh complexes, nephelauxetic effect, effect of σ and π bonding on the
energy of t 2g orbitals and Dq, spectrochemical series, effect of distortion on the d orbital
energy level (Td, D2d, D4h), cis and trans isomers and bonding parameters from spectra of
tetragonal complexes, bonding parameters, calculation of Dq, Ds and Dt for tetragonal
complexes, intervalence electronic transition, structural evidence from electronic spectra.
Nuclear magnetic resonance spectroscopy: Nuclear spin quantum number, Ι, and its
calculation using
the nuclear shell model, spin parity rules. Types of nuclei based on value of Ι, nuclear spin
angular momentum quantum number, and its relation to classical magnetic moment.
35
Behaviour of a bar magnet in a magnetic field. The NMR transition and NMR experiment,
measuring chemical shifts, signal intensities and splitting. Application of chemical shifts,
signal intensities and spin-spin coupling to structure determination of inorganic compounds
1 11 15 19 29 31 183 195
carrying NMR active nuclei like H, B, N, F, Bi, P, W, Pt, etc. Effect of fast
chemical reactions, coupling to quadrupolar nuclei, NMR of paramagnetic substances in
solution, nuclear and electron relaxation time, the expectation value of <Sz>, contact shift,
pseudo contact shift, factoring contact and pseudo contact shift for transition metal ions.
Contact shift and spin density, π delocalization, simplified M.O. diagram for Co(II) and
Ni(II). Application to planar tetrahedral equilibrium, Contrast agents.
Electronic paramagnetic resonance spectroscopy: Electronic Zeeman effect, Zeeman

Hamiltonian and EPR transition energy. EPR spectrometers, presentation of spectra. The
effects of electron Zeeman, nuclear Zeeman and electron nuclear hyperfine terms in the
Hamiltonian on the energy of the hydrogen atom. Shift operators and the second order effect.
Hyperfine splittings in isotropic systems, spin polarization mechanism and McConnell’s
relations Anisotropy in g-value, EPR of triplet states, zero field splitting, Kramer's rule,
survey of EPR spectra of first row transition metal ion complexes.
Nuclear Quadrupolar Resonance (NQR) Spectroscopy: Quadrupolar moment, energy lends of
a quadrupolar nuclease and effect of asymmetry parameters and energy lends. Effect of an
external magnetic field, selected examples for elucidation of structural aspects of inorganic
compounds using NQR spectroscopy.
Recommended Texts:
1. Ebsworth, E. A. O. Structural Methods in Inorganic Chemistry Blackwell Scientific
Publications (1991).
2. Drago, R. S. Physical Methods in Chemistry W. B. Saunders Co.: U.K. (1977).
3. Carrington, A. & McLachlan, A. D. Introduction to Magnetic Resonance Chapman & Hall:
N.Y. (1983).
4. Mabbs, F. E. & Machin, D. J. Magnetism and Transition Metal Complexes Chapman and
Hall: U.K. (1973).
Paper 4102- Inorganic Chemistry (Special-IV) (Elective Paper 2) (100 Marks/ 4

Credits)
Course A: Organotransition metal chemistry
General introduction, Structure and bonding, Survey of organometallic complexes according
to ligands. π bonded organometallic compounds including carbonyls, nitrosyls, tertiary
phosphines, hydrides, alkene, alkyne, cyclobutadiene, cyclopentadiene, arene compounds and
their M.O. diagrams. Metal-carbon multiple bonds. Fluxional organometallic compounds
including π-allyl complexes and their characterization. Metallocycles, unsaturated nitrogen
ligands including dinitrogen complexes.
Futuristic aspects of organotransition metal chemistry.
Course B: Bio-inorganic chemistry
Fundamentals of inorganic biochemistry, geo-chemical effects on life systems, essential and
non-essential elements in bio-systems.
Role of alkali/alkaline earth metals in bio-systems. Role of 3d block elements and nonmetals
in bio-systems. Role of metal ions in oxygen carriers and synthetic oxygen carriers.
Designing of chelating agents and metal chelates as medicines. Fixation of dinitrogen
biologically and abiologically, biotransformation of nonmetallic inorganic compounds.
Environmental bioinorganic chemistry. Metal ions as probes for locating active sites. Anti-
36
oxidants. Metal ions as antioxidants, metal ion enhancing catalytic activity of enzymes
(Biocatalysts). Inhibitions as competitive and non-competitive, metals and metalloproteins.
Metal complexes of polynucleotides, nucleosides and nucleic acids (DNA & RNA). Template
temperature, stability of DNA.
Role of metal ions in replication and transcription process of
nucleic acids. Biochemistry of dioxygen, bioinorganic chips and
biosensors.
Biochemistry of calcium as hormonal messenger, muscle contraction blood clotting,
neurotransmitter, calcification reclaiming of barren land.
Metals in the regulation of biochemical events. Transport and storage of metal ions in vivo.
Metal complexes as probes of structure and reactivity with metal substitution.
Fundamentals of Toxicity and Detoxification. Nuclear medicines.
Recommended Texts:
1. Green, M. L. H. Organometallic Compounds Chapman & Hall: U.K. (1968).
2. Coates, G. E., Green, M. L. H. & Powell, P. Principles of Organometallic Chemistry Chapman
and Hall: U.K. (1988).
3. Lippard, S. J. & Berg, J. M. Principles of Bioinorganic Chemistry Univ. Science Books (1994).
4. Lippard, S. J. Progress in Inorganic Chemistry Vols. 18 and 38, Wiley-Interscience (1991).
Paper 4103- Inorganic Chemistry (Special-V) (Elective Paper 3) (100 Marks/ 4

Credits)
Course A: Analytical techniques (Instrumentation and Applications)
(i) Electroanalytical methods:- Polarography (DC, AC and pulse), cyclic voltammetry,
coulometry and anode stripping voltammetry.
(ii) Optical methods:- UV/Visible, X-ray photoelectron spectroscopy (XPS), Auger Electron
Spectroscopy (AES), ESCA, Atomic absorption and emission spectroscopy.
(iii) Infrared Spectroscopy, Dispersive and Fourier Transformed Raman, Resonance Raman
and Surface Enhanced Raman Spectroscopy- Dispersive and Fourier Transformed.
(iv) Hifanated Techniques: GC-IR, TG-IR Spectroscopy, GC-Mass Spectroscopy and any
other.
(v) Imaging Techniques: Electron microscopy (SEM, TEM)
Course B: Diffraction, Separation and Thermal Methods

(i) Diffraction Methods: Single crystal and Powder X–Ray Diffraction and their applications
for Inorganic Compounds, Neutron Diffraction and Electron Diffraction.
(ii) Separation Methods: Theory and applications of separation methods in analytical
chemistry: solvent extraction, ion exchangers including liquid ion exchangers and
chromatographic methods for identification and estimation of multicomponent systems (such
as TLC, GC, HPLC, etc.).
(iii) Thermal Methods: TG, DTA, DSC and thermometric titrations.
37
Recommended Texts:
1. Cheetham, A. K. & Day, P., Eds. Solid State Chemistry Techniques Clarendon Press, Oxford
(1987)
2. Christian, G. D., Analytical Chemistry, 6th Ed., John Wiley & Sons, Inc. (2004).
3. Skoog, D. A., West, D. M., Holler, R. J & Nieman, T. A. Principles of Instrumental Analysis
Saunders Golden Sunburst Series (1997).
4. Willard, H. H., Merritt, L. L., Dean, J. A. & Settle, F. A. (Eds.) Instrumental Methods of
Analysis - 7th Ed., Wadsworth Publishing (1988) ISBN 0534081428
5. Khopkar, S. M. Concepts in Analytical Chemistry Halsted (1984).
rd
6. Cullity, B.D. & Stock, S.R. Powder X-Ray Diffraction, 3 edition, Kindle Publisher 2001.
7. Stout, G.H. & Jensen, L. H. X- Ray structure Determination A Practical Guide IIed (John
Wiley & Sons), 1989.
Paper 4104- Inorganic Chemistry (Special-VI/ Open Elective 2) (100 Marks/ 4

Credits)
Course A: Inorganic Materials
Introduction to the solid state, metallic bond, Band theory (Zone model, Brillouin Zones,
Limitations of the Zone model); Defects in solids, p-type and n-type; Inorganic
semiconductors (use in transistors, IC, etc.); Electrical, optical, magnetic and thermal
properties of inorganic materials. Superconductors, with special emphasis on the synthesis
and structure of high temperature superconductors.
Solid State Lasers (Ruby, YAG and tunable lasers): Inorganic phosphor materials; Synthesis
and advantages of optical fibres over conducting fibres. Diffusion in solids, catalysis and
Zone refining of metals.
Preparation of nanomaterials and their characteristic differences over bulk materials.
Principles of Electron Microscopy, Dynamic Light Scattering, Atomic Force Microscopy and
characterization of nanomaterials.
Course B: Nuclear and Radiochemistry

Nuclear structure and nuclear stability, Nuclear models, Radioactivity and nuclear reactions
(including nuclear fission and fusion reactions).
Hot atom chemistry, Nuclear fission and fusion reactors.
The interaction of nuclear radiations with matter. Radiation hazards and therapeutics.
Detectors and their principles.
The direction of radioactivity. The counting errors and their corrections.
Tracer techniques and their applications. Isotope dilution and radio-activation methods of
analysis. Fission product analysis (e.g., the technique of isolating two or three different
fission products of U or Th and determining the yields).
Recommended Texts:
1. Harvey, B. C. Introduction to Nuclear Chemistry Prentice-Hall (1969).
2. Friedlander, G. Kennedy, J. W., Marcus, E. S. & Miller, J. M. Nuclear & Radiochemistry,
John Wiley & Sons (1981).
3. Keer, H. V. Principles of the Solid State Wiley Eastern Ltd.: New Delhi (1993).
4. West, A. R. Solid State Chemistry and its Applications John Wiley & Sons (1987).
38
5. Hannay, N. Treatise on Solid State Chemistry Plenum (1976).
6. Cheetham, A. K. & Day, P., Eds. Solid State Chemistry Techniques Clarendon Press, Oxford
(1987)
7. Timp, G., Ed. Nanotechnology Springer-Verlag: N. Y. (1999).
Paper 4105- Inorganic Chemistry (Special-VII/ Open Elective 2) (100 Marks/ 4

Credits)
Green Chemistry: An interdisciplinary approach towards sustainable development
This course is designed to equip students with the tools necessary to support and promote
global sustainability. Green Chemistry is an important tool in meeting the challenges of
sustainability. It is important that students of various areas of science be exposed to Green
Chemistry, as many innovative science discoveries are made through interdisciplinary
collaborative work. Today’s students and ultimately the scientific community of tomorrow
would significantly benefit from the introduction of Green Chemistry Principles.
Students will learn about the key principles of green chemistry and the importance of clean
and sustainable technology. The course will develop and enhance their transferable skills as
well as those skills required for careers in a range of industries. For example, they will learn a
variety of chemical
research techniques and how to apply them; they will learn about the importance of protecting
intellectual property and commercializing new inventions. They will discover the importance
of multidisciplinary approaches to solving problems and to modern scientific and
technological research. They will develop skills which will equip them for a range of
chemical and non-chemical careers in research, process development, environmental services,
manufacturing, law, consultancy and government.
Students will enter the professional world with the knowledge of the weakness of the current
industrial process coupled with motivation for the development of solution based on Green
Chemistry principles in an international and interdisciplinary environment. Green Chemistry
teaches problem solving skills, critical thinking with valuable skills to innovate/ find out
solutions to any problem of waste, health, environmental issues as it is principle based. It
gives chance to innovate and grow professionally. Commercial success stories are
incorporated in the real world scenario to generate a systematic interest in the field of green
and sustainable chemistry. They will have many career opportunities as "green" is the path to
success for any organization. The students can even think of a startup company.
Course A: Introduction to Green Chemistry

History of emergence of Green Chemistry through some industrial disasters, environmental
movements for public awareness and some important environmental laws, Definition of
Green Chemistry, Need for Green Chemistry, goals of Green Chemistry, Green Chemistry
advances towards a sustainable future, Green Chemistry v/s Environmental Chemistry, Green
Chemistry and its interdisciplinary nature, Twelve Principles of Green Chemistry and their
illustrations with examples. Catalysis for Green Chemistry with examples. Catalytic oxidation
using H2O2, Bio-catalysis, Photo-catalysis, Green reagents, Green solvents including solvent
free synthesis of some organic compounds and inorganic complexes, alternative sources of
energy, Green energy and sustainability.
Course B: Application of Green Chemistry in real world cases
1. Wealth from
waste
39
Industrial
Case Studies
2. Green Nanotechnology
Greener approaches for nanoparticle synthesis
3. Pharmaceutical Industries: The largest waste
producer Problems and solutions through
Green Chemistry Benefits of Greening
Industries
Need for Academia-Industry Collaborations
Innovations Stemming from Academia-Industry Collaborations
4. Emerging Green Technologies. Green Solvents, Next generation Catalyst
Design, Microwave assisted synthesis etc.
Suggested Texts:
1. Anastas, P.T. & Warner, J.C. Green Chemistry- Theory and Practical, Oxford University
Press (1998).
2. Matlack, A.S. Introduction to Green Chemistry, Marcel Dekker (2001).
3. Cann, M.C. & Connely, M.E. Real-World cases in Green Chemistry, American Chemical
Society, Washington (2000).
4. Sharma, R.K. & Bandichhor, R. Hazardous Reagent Substitution, Royal Society of
Chemistry, Green Chemistry Series (2018).
5. Ryan, M.A. & Tinnes, M. Introduction to Green Chemistry, American Chemical Society,
Washington (2002).
6. Sharma, R.K., Sidhwani, I.T. & Chaudhari, M.K. Green Chemistry Experiments: A
Monograph I.K. International Publishing House Pvt. Ltd. New Delhi, Bangalore ISBN 978-
93-81141-55-7 (2013).
7. Lancaster, M. Green Chemistry: An Introductory Text RSC publishing, 2nd Edition ISBN
978-1-84755-873-2 (2010).
PRACTICALS
Paper 4106- Practical Inorganic Chemistry – II (Elective practical 2) (200 Marks/

8 Credits)*
Part – A: Analysis
Analysis of the following complex materials by various chemical methods:
(i) Ores
(ii) Alloys
(iii) Inorganic substances
(iv) Any other experiments done in the class during the current academic semester.
Part – B: Instrumental based Analysis:

rd
Any three/four techniques not covered in the 3 semester out of the following syllabus:
(1) Instrumental methods of analysis utilizing flame photometer, atomic absorption
spectrophotometer, pH-meter, potentiometer, turbidity meter, electrochemical methods,
separation of mixtures of metal ions by ion exchange chromatography.
(2) Synthesis and thermal analysis of group II metal oxalate hydrates.
(3) Any other experiments done in the class during the current academic semester.
40
Organic Chemistry Special Papers
Paper 4201- Organic Chemistry (Elective course I) (100 Marks/ 4 Credits)

Course A: Advanced Organic Synthesis
Philosophy of organic synthesis: Disconnection approach, one group and two group
disconnections, reversal of polarity, chemoselectivity, one group C-C disconnection, two
group C-C disconnections, 1,3-difunctional and 1,5-difunctional compounds. Tandem
reactions, Domino reactions and multi-component reactions.
Asymmetric synthesis: Development of methodologies for asymmetric synthesis,
regioselectivity, stereoselectivity, diastereoselectivity and stereospecificity.
Total synthesis of the following compounds using disconnection approaches: Gingerol, (z)-
jasmone, prostaglandins E2, F2α, menthol, taxol and gandriol.
Course B: Supramolecular Chemistry and Carbocyclic Rings

Principles of molecular associations and organizations: Non-covalent synthesis, Self
assembly and self organization, Supramolecular reactivity and catalysis, Molecular devices,
Ion channels, Novel liquid crystals, Gelators fibres and adhesives, Dendrimers, organic solids,
organic conductors and organic superconductors, catenanes and rotaxanes.
Chemistry of small, medium and large ring compounds.
Chemistry of non-benzenoid aromatics: Tropones. tropolones, azulenes, metallocenes and
annulenes. Bridged rings, caged molecules and adamantane.
Recommended Texts:
(1) Warren, S. Organic Synthesis: The Disconnection Approach John Wiley & Sons (1984).
(2) Lehn, J-M, Supramolecular Chemistry: Concepts & Perspectives. A Personal Account Vch
Verlagsgesellschaft Mbh (1995).
(3) Vögtle, F. Supramolecular Chemistry: An Introduction John Wiley & Sons (1993).
Paper 4202- Organic Chemistry (Elective course 2) (100 Marks/ 4 Credits)

Course A: Terpenes and Steroids
Terpenes and steroids: Classification and biosynthesis of mono- sesqui-, di- and triterpenoids
and steroids. Acetyl CoA, Mevalonic acid, acetoacetyl CoA, squalene to lanosterol, lanosterol
to Cholesterol, Cholesterol to estradiol and progesterone, diosgenin and its utility in hormone
synthesis.
General chemistry of the following compounds- Cholesterol, Artemisinin, Gibbereline A3,
Azadirachtin.
Course B: Alkaloids and Polyphenols

Isolation and structure elucidation of alkaloids, Biosynthesis of alkaloids using thiokinase,
mixed function oxygenases, methyl transferases, amino acid decarboxylases.
Total synthesis of morphine, reserpine and ergotamine.
Biosynthesis of flavonoids and related polyphenols. Synthesis of apigenin, luteolin,
quercetin, Diadzen, myrtucommulone A, prenylflavone, binaringenin and
biflavanoids.
41
Recommended Texts:
1. Finar, I. L. & Finar, A. L. Organic Chemistry Vol. 2, Addison-Wesley (1998).
2. Finar, I. L. Organic Chemistry Vol. 1, Longman (1998).
3. Mann, J. Secondary Metabolites, Oxford University Press, Oxford, UK, (1980).
Paper 4203- Organic Chemistry (Elective course 3) (100 Marks/ 4 Credits)

Course A: Newer Synthetic Reactions and Reagents
Enolates, Thermodynamic versus Kinetic enolates, enonate equivalents and enamines:
Applications in carbon-carbon bond formation and related reactions. Applications in chiral
synthesis.
Phosphorus, Sulphur and nitrogen ylides: Preparation, applications in organic synthesis and
mechanism.
Umpolung reactions (sulphur compounds, nitro compounds, lithiated ethers and related
compounds).
Principles and applications of phase transfer catalysis, crown ethers and polymer- supported
reagents in organic synthesis.
Principles of Green Chemistry and its applications : Biotransformations: Classification of
enzymes, advantages and disadvantages, Artificial enzymes, applications in organic synthesis;
Principles of ultrasound and microwave assisted organic synthesis. Reactions in ionic liquids.
Course B: Heterocyclic Chemistry

Introduction to heterocycles: Nomenclature, spectral characteristics, reactivity and
aromaticity
Synthesis and reactions of three and four membered heterocycles, e.g., aziridine, azirine,
azetidine, oxiranes, thiarines, oxetenes and thietanes.
Five membered rings with two heteroatoms: pyrazole, imidazole, oxazole, thiazole,
isothiazole and benzofused analogs.
Benzofused five membered heterocycles with one heteroatom, e.g. indole, benzofuran,
benzothiophene.
Chemistry of bicyclic compounds containing one or more heteroatoms.
Benzofused six membered rings with one, two and three heteroatoms: benzopyrans,
quinolines, isoquinolines, quinoxazalines, acridines, phenoxazines, phenothiazines,
benzotriazines, pteridines.
Seven and large membered heterocycles: azepines, oxepines,
thiepines. Chemistry of porphyrins and spiro heterocycles.
Recommended Texts:
2. Carruthers, W. Modern Methods of Organic Synthesis Cambridge University Press (1971).
3. Acheson, R. M. Introduction to the Chemistry of Heterocyclic Compounds John Wiley & Sons
(1976).
4. Anastas , Paul and Warner , John C.,Green Chemistry- Theory and Practical, (2005).
5. Alhuwalia, VK and Kidwai, M. New trends in Green Chemistry. Anamaya Publishers,
New Delhi (2003).
42
Paper 4204- Organic Chemistry Special (Open elective 2) (100 Marks/ 4
Credits) Biomolecules
Course A: Proteins and Lipids
Peptides and proteins: Classification of naturally occurring peptides, depsipeptide and
peptide alkaloids with examples, Sequence determination, chemical, enzymatic and mass
spectral methods, Modern methods of peptide synthesis with protection and deprotection,
Solid phase synthesis,
combinatorial synthesis of peptides, Chemistry of oxytocin, valinomycin, enkephalins, self
assembly and aggregation of peptides,
Lipids : Classification and biological importance of fatty acids and lipids, stereochemical
notation in lipids, chemical synthesis of phospholipids and glycolipids, properties of lipid
aggregates, micelles, bilayers, lyposomes and biological membranes.
Course B: Nucleic Acids and Carbohydrates

Nucleic acids: Secondary structure of DNA and RNA, stabilizing forces, polymorphic nature
of DNA, multistranded DNA structures, sequence determination by chemical and enzymatic
methods, genome sequencing, chemical synthesis of DNA, solution phase and solid phase
synthesis, phosphodiester-triester and phosphite methods, phosphoramide approach; PNA,
LNA, UNA, automated DNA synthesizers, purification of oligonucleotides, HPLC and gel
electrophoresis.
Carbohydrates: Types of naturally occurring sugars, deoxy sugars, amino sugars, branched
chain sugars, sugar methyl ethers and acid derivatives of sugars, polysaccharides of industrial
and biological importance, dextran, chemistry of sialic acids, cell-cell recognition and blood
group substances.
Recommended Texts:
1. Bodansky, M. Peptide Chemistry: A Practical Textbook Springer-Verlag (1988).
2. Dugas, H. & Penney, C. Bioorganic Chemistry: A Chemical Approach to Enzyme Action
Springer-Verlag (1989).
3. Stryer, L. Biochemistry 4th Ed., W. H. Freeman & Co. (1995).
4. . Zubay, S. Biochemistry Addison-Wesley (1983).
5. Sinden, R. P. DNA Structure and Function Academic Press (1994).
6. Saenger, W. Principles of Nucleic Acid Structure Springer-Verlag (1984).
7. Gait, M. J., Ed. Oligonucleotide Synthesis-A Practical Approach IRL Press (1984).
Paper 4205- Organic Chemistry Special/ Open elective 2 (100 Marks/ 4 Credits)
Pharmaceutical Techniques Technologies Development
Course A: Drug Delivery Technologies
Importance of Targeted Drug Delivery, Efficacy, Safety and Toxicity Issues. Molecular basis
of targeted drug delivery. Drug Release and Uptake Phenomenon. Drug Encapsulation
Technologies. Different Carriers for Drug Encapsulation:
Nanomaterials (metal-based, metal oxide based and polymeric) in drug encapsulation and
drug delivery: their characterization, generation, efficacy, toxicity and release profile.
Factors affecting drug loading and drug release.
43
Techniques to measure degree of loading and release efficiency. Metabolism and excretion of
drug delivery carriers.
General considerations; Methods of preparations, characterization and applications of

liposomes, ionosomers, resealed erythrocytes, nanoparticulate systems, solid-liquid
nanoparticles, dendrimers, organogels, multiple emulsions and nanoemulsions.
Overview and application of aquasomes, pharmacosomes, liquid crystalline systems, protein
and peptide-based drug delivery systems.
Polymers in drug encapsulation and drug delivery: Classification, synthesis and applications
of biodegradable and natural polymers in formulation of controlled drug delivery systems.
Course B: Pharmaceutical Technologies Development

Drug discovery, lead identification and lead optimization, Chemical, pharmaceutical and
clinical technology development.
Investigational New Drug (IND) and its Applications : criteria, contents, categories,
submission, regulation, noteworthy examples.
Clinical trials: Phase I, II and III clinical trials.
Pilot Plant Scale-Up Techniques: Primary function of the pharmaceutical pilot plant, factors
to be considered during development, reporting responsibilities, personnel requirements,
space requirements, review of the formula, raw materials, relevant processing equipments,
production rates, process evaluation, master manufacturing procedures, GMP consideration,
pilot plant design for tablet development.
Recommended Texts:
1. Mathiowitz, E., Ed. Encyclopaedia of controlled delivery (1999).

2. Joseph R. Robinson and Vincent H. L. Lee Controlled Drug Delivery – Fundamentals and
Applications.
3. Saltzman, W. Mark Drug Delivery: Engineering Principles and Drug Therapy (Oxford Press)
4. Loyd V. Allen, Jr., Nicolas G. Popovich and Howard C. Arsel Ansel’s Pharmaceutical Dosage
Forms and Drug Delivery Systems.
5. The Art, Science and Technology of Pharmaceutical Compounding – Loyd V. Alen Jr.
6. Theory and Practice of Industrial Pharmacy – Lachmann
7. Pharmaceutics – Aulto
Paper 4206- Practical Organic Chemistry – II (Elective practical 2) (200 Marks/ 8

Credits)*
Part A
1. Separation and qualitative analysis of mixtures containing two components by chemical
methods and physical methods (Separations using acids, bicarbonate bases, water, ether).
2. (i) Separation of active single component and mixture of components from
pharmaceutical tablets; identification of components by m.p., functional groups and
spectral data;
(ii) Quantitative estimation of the components in pharmaceutical tablets
2. Application of column chromatography, HPTLC, HPLC, GC etc.
44
3. Separation of DNA/Proteins by Gel- Electrophoresis
4. (i) Application of spectral data (IR, UV, NMR and mass) for structural elucidation,
(ii) Quantitative estimations of mixtures of compounds, geometrical isomers, keto-enol
tautomers, etc.
Part B
1. Advanced organic synthesis:
Multistage synthesis including photochemical methods; representative examples:
a. Hydroquinone→ Hydroquinone Diacetate → 2,5 -Dihydroxyacetophenone → 2, 5 -
Dibenzoxyacetophenone
b. Benzaldehyde→ Cinnamic acid → α,β -Dibromocinnamic acid→ cis & trans α-
Bromocinnamic acid
c. Chalcone→ chalcone epoxide→ α-Benzoyl phenyl acetaldehyde
d. Benzaldehyde → Bezoin → Benzil → Benzilic acid
e. Resorcinol → 7-Hydroxy-4-methylcoumarin → 7-Acetoxy-4-methylcoumarin →
4-Methyl-7-hydroxy-8-acetylcoumarin
f. Applications of Grignard Reagent
g. Applications of Wittig reagent
h. Other suitable multi-step synthesis
2. Multi-component synthesis:
a. Mannich Rection (reaction of primary amine, formaldehyde and carbonyl compound)
b. Organic synthesis in water ( Preparation of Hydroxy methyl benzotriazole)
c. Synthesis of Benzimidazole (Condesation of diamines and aldehydes)
d. Synthesis of chromenes and xanthenes
e. Other recent examples of multi-component synthesis
3. Green chemistry:
a. Direct Oxidative esterification of Aldehyde (using Iodine and Alcohol).
b. Use of microwaves in organic synthesis
i. Synthesis of Chalcone
ii. Oxidation of toluene
iii. Esterification
iv. Lipase-catalyzed Esterification / transesterification reactions and other
enzymatic reactions
v. Aldol condensation of Benzil
vi. And other suitable green synthesis
4. Supra-molecular chemistry
High dilution method for the synthesis of Host molecule, clatherates etc.
45
Physical Chemistry Special Papers
Paper 4301 –Physical Chemistry Special (Advanced Statistical Mechanics) (Elective

course) (100 Marks/ 4 Credits)
Course A: Grand Canonical Ensemble:

Distribution functions in monatomic, one-component systems, Kirkwood-Salsburg integral
equation,
Theory of Imperfect Gases and Condensation
Partition functions and cluster integrals, Pressure of gas expressed as a power series in
activity, Irreducible cluster integrals, Virial expansion for a gas, Calculation of Virial
coefficients of an imperfect gas. Theory of condensation.
Lattice Statistics
Ising Model. Nearest neighbour lattice statistics- Thermodynamics and interconnections,
Exact and formal methods.
Computational Techniques
Computer simulation: Motivation and applications, Intermolecular potentials
Molecular Dynamics and Monte Carlo Methods
Course B: Theory of Liquids

Canonical Ensemble: Definition of distribution and correlation functions, Thermodynamic
functions of a fluid and the radial distribution function, Potential of mean force and the
superposition approximation, Kirkwood integral equation, Born-Green-Yvon (BGY) integral
equation, HNC equation, PY equation, Fluid of hard spheres according to the superposition
approximation, Fluid with modified Lennard-Jones molecular interaction potential according
to the superposition approximation.
Supercooled and Ionic Liquids
Theories of transport properties; non Arrhenius behaviour of transport properties, Cohen-
Turnbull free volume model, configurational entropy model,
Experimental Methods for Structure Determination
Spectroscopic techniques for liquid structure studies, Neutron and X-ray scattering.
Recommended Texts:
1. Allen, M. P. & Tildesley, D. J. Computer Simulations of Liquids Oxford Science Publications: Oxford
(1987).
2. Hill, T. L. Statistical Mechanics: Principles and Selected Applications Dover Publications Inc.: New
York (1987).
3. Landau, L. D. & Lifshitz, E. M. Statistical Physics Vol. 5, Part 1, 3rd Ed., Pergamon Press (1980).
4. McQuarrie, D. A. Statistical Mechanics Viva Books Pvt. Ltd.: New Delhi (2003).
5. Bagchi B. Statistical Mechanics for Chemistry and Material Science, CRC Press (2018).
46
Paper 4302 –Physical Chemistry Special (Advanced Electrochemistry) (Elective course)
(100 Marks/ 4 Credits)
Course A: Fundamentals
Electrode kinetics: Overpotentials, Exchange current density and transfer coefficient,
Derivation of Butler-Volmer equation and its physical implications, Tafel plot, Multistep
electrode reactions; Marcus microscopic model of electron transfer.
Relaxation Methods-Theory and Techniques: Mass transfer by diffusion and electrode surface
constraints. Laplace transfer and its application to solve diffusion equation
Constant Potential Chronoamperometry: Reversible and quasi-reversible charge transfer,
Cottrell equation, Influence of uncompensated solution resistance
Pulse Voltammetries: Reversible charge transfer
Constant Current Chronopotentiometry: Reversible and quasi-reversible charge transfer, Sand
equation
Impedance Methods: Reversible and quasi-reversible charge transfer, Warburg equation,
Influence of uncompensated solution resistance, Equivalent circuits models
Adsorption and Electric Double Layer:
Thermodynamics of the double layer, Electrocapillary phenomena;
Structure of electrified interfaces - Gouy-Chapman, Stern, Graham-Devanathan-Mottwatts,
Tobin, Bockris, Devanathan models;
Course B: Applications of Electrochemistry

Application of cyclic voltammetry for characterization of various electrochemical processes,
Electrochemical instrumentations, Scanning probe techniques.
Conversion and storage of electrochemical energy: Fuel cells, Supercapacitors and Li ion
batteries.
Electrocatalysis: Influence of various parameters on water splitting, HER and OER.
Corrosion: Introduction to corrosion, forms of corrosion, Corrosion monitoring and
prevention methods
Semiconductor interfaces: Structure of double layer at the semiconductor-solution interface,
Effect of light at semiconductor-solution interface. Dye sensitized solar cells
Electrocrystallization: Electrogrowth of metals on electrode- Nucleation, Growth, Surface
Diffusion, Underpotential deposition, Variety of shapes formed in electrodeposition.
Bioelectrochemistry: Nerve impulses, Membrane potentials, Nernst-Planck equation,
Hodgkin-Huxley equations, Core conductor model
Adsorption – Ionic and organic molecules, Adsorption isotherms - Langmuir, Frumkin,
Temkin; Experimental evaluation of surface excesses and electrical parameters;
Recommended Texts:
1. Bard, A. J. Faulkner, L. R. Electrochemical Methods: Fundamentals and Applications, 2nd Ed., John
Wiley & Sons: New York, 2002.
47
2. Oldham, K. B., Myland, J. C. and Bond, A. M. Electrochemical Science and Technology: Fundamentals
and Applications, John Wiley & Sons, Ltd. (2012).
3. Bockris, J. O’ M. & Reddy, A. K. N. Modern Electrochemistry 1: Ionics 2nd Ed., Springer (1998).
4. Bockris, J. O’ M. & Reddy, A. K. N. Modern Electrochemistry 2B: Electrodics in Chemistry,
Engineering, Biology and Environmental Science 2nd Ed., Springer (2001).
5. Bockris, J. O’ M., Reddy, A. K. N. & Gamboa-Aldeco, M. E. Modern Electrochemistry 2A:
Fundamentals of Electrodics 2nd Ed., Springer (2001).
6. Brett, C. M. A. & Brett, A. M. O. Electrochemistry, Oxford University Press (1993).
7. Koryta, J., Dvorak, J. & Kavan, L. Principles of Electrochemistry John Wiley & Sons: NY (1993).
8. Bagotsky, V.S., Fundamentals of electrochemistry 2 nd Ed. Wiley – Interscience, (2006)
9. Hamann, Carl H., Hamneff , Andrew & Vielstich, Wolf., Electrochemistry, 2nd Ed. (2007)
Paper 4303 –Physical Chemistry Special (Advanced Photochemistry and Radiation

Chemistry)
(Elective course) (100 Marks/ 4 Credits)
Course A: Photochemistry
Molecular photochemistry: An overview: Transitions between states (Chemical, classical and
quantum dynamics, vibronic states). Potential energy surfaces; transitions between potential
energy surfaces, The Franck-Condon Principle and radiative transitions. A classical model of
radiative transitions. The absorption and emission of light - state mixing, spin-orbit coupling
and spin forbidden radiative transitions, absorption complexes, delayed fluorescence and
phosphorescence.
Photophysical radiationless transitions: Wave mechanical interpretation of radiationless
transitions between state factors that influence the rate of vibrational relaxation. Energy
transfer: Theory of radiationless energy transfer, energy transfer by electron exchange: An
overlap or collision mechanism. The role of energetics in energy transfer mechanism.
Diffusion controlled quenching. The Perrin formulation. Triplet-triplet, triplet-singlet, singlet-
triplet energy transfer. Multiphoton energy transfer processes, reversible energy transfer.
Course B: Radiation Chemistry, Dosimetry and Photolysis
An overview, G-value. The mechanism of interaction of high energy radiation with matter,
Photoelectric effect, Compton effect, Pair production, total absorption co-efficient, excitation
and ionization, Stopping power and linear energy transfer.
Radiation dosimetry: Radiation dose and its measurement, standard free air chamber method,
chemical dosimeter (Frick’s Dosimeter). Short lived intermediates (ions, excited molecules,
free radicals: Various mechanisms of their formation and energy transfer processes).
Flash photolysis: Principle and its applications. Radiolysis of water and aqueous solutions.
Radiolysis of molecules of biological interest (carbohydrates, amino acids, peptides, and
nucleic acids).
Recommended Texts:
1. Turro, N. J. Modern Molecular Photochemistry Univ. Science Books (1991).
2. Gilbert, A. & Baggot, J. Essentials of Molecular Photochemistry Blackwell Scientific (1990)
48
4. McQuarrie, D. A. & Simon, J. D. Physical Chemistry: A Molecular Approach 3rd Ed., Univ. Science
Books (2001).
Paper 4304 –Physical Chemistry Special (Computational Methods in Chemistry)
Course A:
Programming: BASIC and FORTRAN/C languages. Introduction to LINUX/UNIX and shell
scripts. Some illustrative numerical methods in chemistry: Least squares fit, root finding,
numerical differentiation, integration and solution of ODE, matrix inversion and
diagonalization, interpolation. Pattern recognition techniques and molecular graphics.
Basics of electronic structure calculations, Molecular Mechanics, Monte Carlo and Molecular
Dynamics simulations.
Course B:
Computer experiments: Use of some packages to study molecular electronic structures and
molecular modelling (GAMESS, MOPAC, molecular dynamics packages, etc.) Use of
electronic spreadsheets in chemistry. Basic ideas on structure-activity relationships, drug and
catalysis design, etc. Development of some simulation programs and use of the internet for
chemical information retrieval. Chemoinformatics.
Recommended Texts:
1. Hinchliffe, A. Modelling Molecular Structures 2nd Ed., John Wiley & Sons (2003).
2. Höltje, H-D., Sippl, W., Rognan, D. & Folkers, G. Molecular Modeling: Basic Principles and
Applications 2nd Ed. Wiley-VCH (2003).
3. Leach, A. R. Molecular Modelling: Principles and Applications.2nd Ed. Pearson Education: England
(2001).
4. Press, W. H., Tenkolsky, S. A., Vetterling, W. T. & Flannery, B. P. Numerical Recipes in Fortran/C 2nd
Ed., Cambridge University Press (1996).
5. Lewars, E. Computational Chemistry Kluwer Academic Publishers (2003)
6. Jensen, F. Introduction to Computational Chemistry Wiley (2007)
7. Cramer, C. J. Essentials of Computational Chemistry John Wiley & Sons, England (2002)
Paper 4305: Advanced Quantum Chemistry (Physical Chemistry Special)

Course A:
Perturbation theory- second order for non-degenerate states, first order for degenerate states. Double
perturbation theory. Orbital and spin angular momentum operators of many-body systems, L-S and j-j
couplings. Pauli matrices Term symbols and term energies. Hohenberg-Kohn theorem. Nature of
electron density distribution and Density Functional Theories (DFT). Density functional interpretation
of some concepts (electronegativity, electronegativity equalization, softness and hardness, etc).
Electron correlation in DFT, Kohn-Sham equation and its applications. Quantum tunnel effect.
Introduction to second quantization in chemistry, Fermi and Bose gases.
49
Course B:
Many-electron systems. Antisymmetrization, determintantal wavefunctions. Matrix elements for one

and two electron operators. Secular equation for many-electron Slater determinantal functions,
Hartree-Fock Self-Consistent-Field methods. Roothaan equations. Koopmans and Brillouin theorems.
Basis sets (Slater, Gaussian and integral transform), Basis Set Superposition Error (BSSE), Electron
correlation and CI theories. A review of HMO, EHT and PPP methods. ZDO approximation and
CNDO, INDO and other semi-empirical theories.
Recommended Texts:
1. Lowe, J. P. & Peterson, K. Quantum Chemistry Academic Press (2005).

2. Mortimer, R. G. Mathematics for Physical Chemistry 2nd Ed. Elsevier (2005).
3. Pilar F. L. Elementary Quantum Chemistry 2nd Ed., Dover Publication Inc.: N.Y. (2001).
4. Atkins, P. W. & Paula, J. de Atkin’s Physical Chemistry 8th Ed., Oxford University Press
(2006).
5. Atkins, P. W. & Friedman, R. S. Molecular Quantum Mechanics 3rd Ed., Oxford University
Press (1997).
6. Levine, I. L. Quantum Chemistry 5th Ed., Prentice-Hall Inc.: New Jersey (2000).
7. Engel, T. & Reid, P. Physical Chemistry Benjamin-Cummings (2005).
8. McQuarrie, D. A. & Simon, J. D. Physical Chemistry: A Molecular Approach 3 rd Ed., Univ.
9. Silbey, R. J., Alberty, R. A. & Bawendi, M. G. Physical Chemistry 4th Ed. Wiley (2004).
10. Martin, R. M. Electronic Structure (basic theory and practical methods), Cambridge Univ.
Press (2004).
11. Springborg, M. Methods of Electronic Structure Calculations, Wiley (2000).
Paper 4306 –Physical Chemistry Special (Advanced Chemical Kinetics)

Course A:
Statistical theories of kinetics: Collision theory. Activated Complex theory. Potential energy
surfaces- attractive and repulsive forces. Lindemann’s theory of unimolecular reactions-
energy transfer, fall-off region and its limitations. Rice-Ramsperger and Kassel (RRK) model,
and Marcus refinement of RRK model (RRKM) for the calculation of rate constants of simple
unimolecular (isomerization) reactions.
Complex reactions: Chain reactions and oscillatory reactions, Photochemical reactions,
Homogeneous catalysis.
Course B:
Enzyme kinetics: Michaelis-Menten mechanism - single and double intermediates. King-
Altman method for working out the kinetics of complex enzyme reactions.
Enzyme inhibition- reversibility and products inhibition. Computer simulation in chemical
kinetics.
50
Reaction Dynamics: Molecular beams, principle of crossed-molecular beams. Molecular
encounters and principal parameters, e.g. Impact parameter, Collision cross-section, Reaction
cross-section and relation between reaction cross-section and reaction rate (single velocity).
Dependence of collisional cross-section on translational energy.
Probing the transition state, Dynamics of barrierless chemical kinetics in solution, dynamics
of unimolecular reactions.
Recommended Texts:
1. Pilling, M. J. & Seakins, P. W. Reaction Kinetics Oxford Press (1997).
2. Laidler, K. J. Chemical Kinetics 3rd Ed., Benjamin Cummings (1997). .
Paper 4307 –Physical Chemistry Special (Advanced Molecular Spectra)

Course A:
Vibrational spectroscopy: Group theory and symmetry classification of normal modes of
vibration. Normal coordinate analysis in Cartesian and internal coordinates of small
molecules: BF3, NH3. Square planar, trigonal bipyramid, framework and cage molecules.
Jahn-Teller distortions.
Electronic spectroscopy: Electronic spectroscopy of transition metal complexes. Octahedral
and tetrahedral complexes, Correlation diagrams for octahedral fields and fields of lower
symmetry.
Electronic spectroscopy of organic molecules - benzene, effect of substitution- pyridine,
pyrimidine, pyrazine, methyl substitution. Vibronic analysis.
Course B:
Electron Spin Resonance spectroscopy: Basic principles. Relaxation and Line Widths. Zero-
field splitting and Kramer’s degeneracy. g-factor for paramagnetic ions. g-factor for organic
radicals. Factors affecting the g-factor.
Isotropic and anisotropic hyperfine coupling constants. Spin Hamiltonian, Spin densities and
McConnell relationship. Fine splitting in triplet spectra.
Applications of ESR spectroscopy - Structure determination, Interpretation of ESR spectra of
simple organic radicals like benzene radical anion, naphthalene radical anion, toluene and o-,
m- and p-xylene radical ions from HMO theory. Study of unstable paramagnetic species,
Kinetic studies of electron transfer reactions, Spin-labelling studies of biomolecules.
Recommended Texts:
1. Harris, D. C. & Bertolucci, M. D. Symmetry and Spectroscopy: An Introduction to Vibrational and
Electronic Spectroscopy Dover Publications: New York (1990).
2. 2. Bishop, D. M. Group Theory and Chemistry, Clarendon Press: Oxford, U.K. (1973).
3. Kakkar, R. Atomic & Molecular Spectroscopy, Cambridge University Press (2015).
Paper 4308 –Physical Chemistry Special (Crystal Structure)

51
Course A: Crystal Structures and Basic Symmetry
Overview: Description of a crystal structure in terms of atom positions, unit cells, and crystal
symmetry; Relation of the crystal symmetry to the symmetry observed in a diffraction
experiment for primitive, orthorhombic,.tetragonal, trigonal, hexagonal, and cubic crystal
systems. Concept of Reciprocal space.
Scattering and Diffraction Theory
X-ray Diffraction: Interaction of radiation with condensed matter and how this can be used in
generalized crystallography. Bragg condition, Miller indices, Laue method, Bragg method,
Debye-Scherrer method of X-ray structural analysis of crystals, index reflections,
identification of unit cells from systematic absences in diffraction pattern. Structure of simple
lattices and X-ray intensities, Structure factor and its relation to intensity and electron density,
Fourier synthesis. Phase problem, Patterson synthesis. Heavy atom method. Direct method.
Refinement, R factor. Fourier refinement. Least squares refinement. Determination of
absolute configurations (Bijvoet method). Chemical interpretation of results. Estimation of
errors. Effects of thermal motion, limitations. Description of the procedure for an X-ray
structure analysis, absolute configuration of molecules.
Crystal defects and non-stoichiometry: Perfect and imperfect crystals, intrinsic and extrinsic
defects- point defects, line and plane defects, vacancies- Schottky defects and Frenkel
defects. Thermodynamics of Schottky and Frenkel defect formation, colour centres, non-
stoichiometry and defects.
Course B:
Protein Crystallography
Basics of modern protein crystallography using Web-based material; different levels of
structure exhibited by proteins; instrumentation, steps, and methods used in protein
crystallography with appropriate case studies; concept of non-crystallographic symmetry to
protein crystallography, Ramachandran diagram.
Electronic properties and Band Theory: Metals, insulators and semiconductors, electronic
structure of solids- band theory, band structure of metals, insulators and semiconductors,
intrinsic and extrinsic semiconductors, doping semiconductors, p-n junctions, super
conductors.
Magnetic properties- Classification of materials: Quantum theory of paramagnetics -
cooperative phenomena - magnetic domains, Hysteresis.
Organic solids: Electrically conducting solids, organic charge transfer complexes, organic
metals, new superconductors.
Electron Microscopy
Fundamentals of electron microscopy as a useful subsidiary technique for crystallographers;
Examples of its application in materials science and macromolecular structural biology.
Electron diffraction: Scattering intensity versus scattering angle, Wierl equation,
measurement technique, elucidation of structure of simple gas phase molecules. Low energy
electron diffraction and structure of surfaces.
52
Neutron diffraction: Scattering of neutrons by solids and liquids, magnetic scattering,
measurement techniques. Elucidation of structure of magnetically ordered unit cells.
Recommended Texts:
1. Moore, E. & Smart, L. Solid State Chemistry: An Introduction 2nd Ed. Chapman & Hall (1996)
2. Rhodes, G. Crystallography Made Crystal Clear: A Guide for Users of Macromolecular Models 3rd Ed.
Elsevier (2006)
3. Massa, W. Crystal Structure Determination 2nd Ed. Springer (2004).
4. Warren, B. E., X-Ray Diffraction 1st Ed. Dover Publications (1990).
5. Sands, D. E. Introduction to Crystallography Reprint Dover Publications (1994).
Paper 4309 –Physical Chemistry Special (Macromolecules)

Course A: Kinetics and Structure

Recapitulation: Polymers and their classification and nomenclature. Types of polymerization.
Molecular weight and size, degree of polymerization, polydispersity. Practical significance of
polymer molecular weight.
Kinetics of polymerization: Kinetics and statistics of step growth polymerization, size
distribution in linear polymers, nonlinear polymerization and prediction of gel point. Kinetics
of free radical chain polymerization, cationic polymerization, anionic polymerization and
polycondensation.
Structure of macromolecules: Polymer crystals: crystallization in polymers, factors
determining crystal structure. Morphology of solution grown single crystal and bulk grown
crystal. Semi-crystalline polymers: spherulites, degree of crystallinity, crystallization and
melting. Kinetics of crystallization. Molecular mechanism of crystallization, factors affecting
melting. Structure in amorphous polymers.
Degradable polymers: Types of degradable polymers, Chemical and biodegradation.
Applications of degradable polymers.
Course B: Microstructure, Solutions and Electrically Conducting Polymer

Polymer microstructure: Microstructure based on chemical structure and geometrical
structure.
Meaning of glass transition temperature (Tg), factors influencing the glass transition
temperature, importance of glass transition temperature Tg and molecular weight, Tg and
melting point
Polymer solutions: Process of polymer dissolution, Thermodynamics of polymer dissolution.
The Flory-Higgins theory of polymer solutions, nature of polymer molecules in solution.
Viscosity of polymer solutions. Colligative properties. Conformations and configurations of
polymers in solutions.
Electrically conducting polymers: Discovery of electrically conducting polymers, Factors
affecting the conductivity of conducting polymers. Electrochemical polymerization. Doping
53
of conducting polymers. Important structural features. Nature of charge carriers in conducting
polymers: solitons, polarons and bipolarons. Mechanism of conduction in polymers.
Stimuli-sensitive (smart) polymers: pH- and temperature-sensitive smart polymers and their
applications in biotechnology and medicine.
Recommended Texts:
1. DeGennes, P. G. Scaling Concepts in Polymer Physics Cornell University Press (1979).
2. Young, R. J. & Lovell, P. A. Introduction to Polymers 2nd Ed. Chapman & Hall (1991).
Paper 4310 –Physical Chemistry Special (Biophysical Chemistry)

(Open elective 2) (100 Marks/ 4 Credits)
Course A: Fundamentals of biological macromolecules

Chemical bonds in biological systems; Properties of water; Thermodynamic principles in
biological systems; Properties and classification of amino acids; polypeptide chain geometries
and internal rotational angles; Ramachandran plots; Structures of nucleic acids. Protein
structure and function. Stabilizing interactions in biomolecules; Properties of nucleosides and
nucleotides; composition of nucleic acids.
Methods for the separation of biomolecules: General principles, including Chromatography;
Sedimentation, Moving Boundary Sedimentation, Zonal Sedimentation, Electrophoresis,
Isoelectric focusing, Capillary electrophoresis, MALDI-TOF.
Course B: Conformational analysis and structural determinations

Complexities in modelling macromolecular structure; Molecular mechanics; simulating
macromolecular structure; energy minimization; Molecular Dynamics.
Physical methods: Ultracentrifugation and other hydrodynamic techniques; Light scattering,
fundamental concepts, scattering from a number of small particles: Rayleigh scattering,
scattering from particles that are not small compared to the wavelength of radiation; Dynamic
light scattering; Low angle X-Ray scattering; Neutron scattering; Raman scattering
Optical methods and applications: Optical techniques in biological systems: Absorption
spectroscopy, Fluorescence spectroscopy, Linear and Circular Dichroism, Single and
multidimensional NMR spectroscopy. Single molecule spectroscopy of biomolecules.
Recommended Texts:
1. Cantor, C. R. & Schimmel Biophysical Chemistry Vols. 1-3, W. H. Freeman (1980).
2. Lehninger, A. L., Nelson, D. L. & Cox, M. M. Lehninger Principles of Biochemistry
4th Ed., W. H. Freeman (2004).
Paper 4311 –Physical Chemistry Special (Physical Chemistry of Materials)

(Open elective 2) (100 Marks/ 4 Credits)
54
Course A: Soft Materials
Thin Films and Langmuir-Blodgett films
Preparation techniques, evaporation/sputtering, chemical processes, MOCVD, sol-gel, etc.
Langmuir-Blodgett (LB) film, growth techniques, photolithography, properties and
applications of thin and LB films.
Liquid crystals: Mesomorphic behaviour, thermotropic liquid crystals, positional order, bond
orientational order, nematic and smectic mesophases, smectic-nematic transition and clearing
temperature- homeotropic, planar and schlieren textures, twisted nematics, chiral nematics,
molecular rearrangement in smectic A and smectic C phases, optical properties of liquid
crystals. Dielectric susceptibility and dielectric constants. Lyotropic phases and their
description of ordering in liquid crystals.
Colloids: Types of colloids, forces between colloidal particles, characterization of colloids,
charge stabilization, steric stabilization, effect of polymer on colloid stability, kinetic
properties, sols, gels, clays, foams, emulsions, food colloids, concentrated colloidal
dispersions.
Polymer: Polymer melts- The tube model, viscoelastic behaviour, experimental observations
of single chain dynamics- Rouse and Zimm models, polymer blends, copolymers,
incompatibility and segregation.
Course B: Glasses, Ceramics, High Tc Materials and Devices

Glasses, ceramics, composites and nanomaterials. Glassy state, glass formers and glass
modifiers, Applications. Ceramic structures, mechanical properties, clay products.
Refractories, characterization, properties and applications.
Microscopic composites, dispersion strengthened and particle-reinforced, fibre-reinforced
composites, macroscopic composites. Nanocrystalline phase, preparation procedures, special
properties, applications.
Ionic conductors: Types of ionic conductors, mechanism of ionic conduction, interstitial
types (Frenkel); vacancy mechanism, diffusion superionic conductors; phase transitions and
mechanism of conduction in superionic conductors, examples and applications of ionic
conductors.
High Tc materials: Defect perovskites, high Tc superconductivity in cuprates, preparation and
characterization of 1-2-3 and 2-1-4 materials, normal state properties; anisotropy; temperature
dependence of electrical resistance; optical phonon modes, superconducting state; heat
capacity; coherence length, elastic constants, position lifetimes, microwave absorption-paying
and multigap structure in high Tc materials, applications of high Tc materials.
Materials for solid-state devices: Rectifiers, transistors, capacitors IV-V compounds, low-
dimensional quantum structures; optical properties.
Organic solids, fullerenes, molecular devices: Conducting organics, organic superconductors,
magnetism in organic materials.
Fullerenes - doped fullerenes as superconductors.
Molecular rectifiers and transistors, artificial photosynthetic devices, optical storage memory
and switches- sensors.
55
Nonlinear optical materials: nonlinear optical effects, second and third order- molecular
hyperpolarizability and second order electric susceptibility- materials for second and third
harmonic generation.
Recommended Texts:
1. Ashcroft, N. W. & Mermin, N. D. Solid State Physics Holt-Saunders (1976)
2. Callister, W. D., Jr. Materials Science & Engineering: An Introduction John Wiley & Sons: New York
(2000).
3. Keer, H. V. Principles of the Solid State Wiley Eastern Ltd.: New Delhi (1993).
4. Gray, G. W., Ed. Thermotropic Liquid Crystals John Wiley & Sons: New York (1987).
5. Serpone, N. & Pelizzetti, E. Photocatalysis: Fundamentals and Applications John Wiley & Sons (1989).
6. Cowie, J. M. G. Polymers: Chemistry and Physics of Modern Materials 2nd Ed. CRC Press (1991)
7. Hamley, I. W. Introduction to Soft Matter: Polymers, Colloids, Amphiphiles and Liquid Crystals John
Wiley & Sons (2000).
(Note: Papers belonging to physical chemistry teaching in semester-iv may combine any two parts, viz.
course A or course B, of same or different papers. These combined papers will form elective papers.
Available elective /open elective papers will be displayed on the web site of Department of Chemistry before
the beginning of each semester.)
Paper 4312- Practical Physical Chemistry- II (Elective practical 2) (200 Marks/ 8 Credits)*
Set A
COMPUTER PROGRAMMING
BASIC programming
1. Numerical methods and their applications in chemistry
2. Some typical exercises based on the above
i. Decimal-binary conversion
ii. Numerical differentiation, quadrature and finding roots
iii. pH of a weak acid
iv. Roots of cubic equations (e.g. van der Waals’ equation)- iterative, Newton-Raphson,
Binary bisection, Regula-Falsi methods.
v. Titration curves and end-point location
vi. Numerical integration (Trapezoidal, Simpson’s rule)
vii. H and S from Cp data
viii. Chemical kinetics simulations
ix. Least-squares fit including graphics
x. Numerical solution of differential equations (e.g. in kinetics)
xi. Intrapolation & interpolation of data
xii. Gauss-Siedel method and its use in solving simultaneous equations (e.g. Lambert-Beer’s
law)
56
Set B
SPECTROPHOTOMETRY
1. Record the UV spectra of a weak acid (p-nitrophenol in 1:4 ethanol:water mixture) at different pH
and determine the dissociation constant in the ground state.
2. (a) Record the UV spectra of a weak acid (α-naphthol) at different pH and determine the
dissociation constant in the ground state.
(b) Record the fluorescence spectra of a weak acid (α-naphthol) at different pH and determine the
dissociation constant in the excited state.
Comment on the difference in the two values using MO theory.
3. (a) Record the UV spectra of methyl orange at different pH and determine its dissociation constant.
(b) Study the effect of surfactant on the pKa value of methyl orange.
4. Find the stoichiometry of the charge transfer (CT) complex formed between thiocyanate ions and
iron(III) by Job’s method of continuous variation. Determine the concentration equilibrium constant
and extinction coefficient for the charge transfer complex by applying the Benesi-Hildebrand
equation.
5. Repeat Expt. 4 for salicylate ions in place of thiocyanate ions.
6. Record the UV spectra of benzene, pyridine and pyrimidine in methanol. Compare and discuss the
various transitions involved in terms of MO theory.
SET C
CYCLIC VOLTAMMETRY, IMPEDANCE, CHRONOPOTENTIOMETRY, ESI DATA
ANAYSIS AND SIMULATIONS
CYCLIC VOLTAMMETRY
1. Reset the CV of aqueous solution of sulphuric acid (0.5 M) at Pt electrode as working electrode and
counter electrode.
(a) Interpret and explain various peaks and regions of the CV and their significance.
(b) Determine the area and roughness factor of the electrode by H-adsorption and H-desorption.
(c) Determine the area and roughness factor of the electrode by Pt oxide region.
2. Determine the extent of catalytic activity of the Pt electrode by H2 evolution reaction (HER) and
O2 evolution reaction (OER).
IMPEDANCE
3. Verify Warburg equation using electrochemical impedance spectroscopy. Perform experiment with
various bias potentials around CV peak potential.
4. Determine the exchange current density, α (symmetry factor) and double layer capacity of a redox
reaction usng platimum electrode (aqueous solution of 10 mM (Fe(NH4)2(SO4)2 + Fe(NH4)
2(SO4)2)) in 1 M HClO4.
CHRONPOTENTIOMETRY
5. (a) Verify the Sand equation using galvastatic chronopotentiometry.
(b) The surface area of an electrode is determined via a chronopotentiometric measurement.
3-
(c) Determine the diffusion coefficient of the ion [Fe(CN)6]
EIS DATA ANALYSIS AND SIMULATIONS
6. Determine the best fit model from electrochemical EIS data and extract electrochemical system
parameters from the given impedance data using equivalent circuit models, viz. Resistor capacitor,
57
Randles, Warburg, CPE, CPE with diffusion, etc.
Set D
COLOURIMETRY, DIGITAL POLARIMETRY

COLOURIMETRY
1. Study the kinetics of oxidation of isopropyl alcohol/ ethanol by potassium dichromate. Determine
the order, rate constant, energy of activation and possible mechanism for the reaction.
3+
2. Find the stoichiometry of the complex formed between a metal ion (Fe ) and a ligand (salicylate)
by Job’s continuous variation method and determine the stability constant of the complex formed.
3+
3. Find the stoichiometry of the complex formed between a metal ion (Fe ) and a ligand (thiocyanate) by
Job’s continuous variation method and determine the stability constant of the complex formed.
4. Study the kinetics of hydrolysis of 4-nitrophenyl ethanoate in the presence of base.
5. Determine the dissociation constant of an indicator (methyl red) colourimetrically.
DIGITAL POLARIMETRY
6. Determine the velocity constant for the mutarotation of D(+) glucose and determine the order of
the reaction and the equilibrium concentrations of the two forms.
7. (a) Determine the specific rotation constant for sucrose.
(b) Study the acid catalyzed inversion of cane sugar, and find out
(i) the order with respect to sucrose;
(ii) the rate constant;
(iii) Compare kinetically the strengths of two acids (HCl and H2SO4)
SET D
PHOTOCHEMISTRY & NANOSCIENCE
3+
1. Determine the intensity of light from a UV source using the reaction between Fe and oxalate ions
by photosensitization-Ferrioxalate actinometer.
2.(a) Study the photochemical decomposition reaction of cyclohexanone pH-metrically.
(b) Study the above reaction conductometrically.
3. Prepare the transition metal complex cyano acid of potassium ferrocyanide (or ferricyanide) by the
ion-exchange method.
(a) Determine the nature of this acid by the conductometric method.
(b) Study the titration curves of the photolyzed acid (UV radiation), and suggest a possible
mechanism for its decomposition.
NANOSCIENCE
4. (i) Determine the rate constant of the redox reaction between hexacyanoferrate and thiosulphate ons
in the presence and absence of gold nanoparticles.
(ii) Determine the temperature coefficient, activation energy and other thermodynamic parameters of
the reaction.
5. Prepare gold nanostructures by reducing auric chloride with tea extract in presence of CTAB as
capping agent, and characterize spectrophotometrically.
6. Prepare CdS nanonparticles and record their UV/Vis spectra.
7. Prepare CdSe quantum dots and record their absorption and emission spectra.
(Note: Depending on availability of time, some experiments may be added/deleted during the
semester. II & IV semester experiments may be interchanged depending on availability of
instruments.)
58
Recommended Practical Chemistry Manuals and Books:
1. Vogel, A. I. Vogel's Qualitative Inorganic Analysis - 7th ed. (revised by G. Svehla) Longmans
(1996) ISBN 058-221866-7
2. Vogel, A. I. Vogel's Textbook of Quantitative Chemical Analysis - 5th Ed. Longman (1989).
3. Addison Ault Techniques and Experiments for Organic Chemistry 6th Ed. University Science Books
(1998).
4. Mann, F. G. & Saunders, B. C. Practical Organic Chemistry 4th Ed. Orient Longmans (1990).
5. Vogel, A. I. Vogel's Textbook of Practical Organic Chemistry 5th Ed. (revised by A.R. Tatchell et
al.) Wiley (1989) ISBN 0582-46236-3
9. Daniels, F., Williams, J. W., Bender, P., Alberty, R. A., Cornwell, C. D. & Harriman, J. E.
Experimental Physical Chemistry, McGraw-Hill (1962).
10. Das & R. C. & Behera, B., Experimental Physical Chemistry, Tata McGraw-Hill Publishing Co.
Pvt. Ltd. (1993).
11. Shoemaker, D. P., Garland, C. W. & Nibler, J. W. Experiments in Physical Chemistry, McGraw-
Hill: New York (1996).
12. Day, R. A., Jr. & Underwood, A. L. Quantitative Analysis 3rd Ed. Prentice-Hall India Pvt. Ltd.:
New Delhi (1977).
13. Burns, D. T. & Rattenbury, E. M. Introductory Practical Physical Chemistry Pergamon Press
(1966)
14. Harris, D. C. Quantitative Chemical Analysis 6th Ed. W. H. Freeman & Co. (2002).
15. Willard, H. H., Merritt, L. L., Dean, J. A. & Settle, F. A. (Eds.) Instrumental Methods of Analysis -
7th Ed., Wadsworth Publishing (February 1988) ISBN 0534081428
16. Noggle, J., Physical Chemistry Using Mathcad Newark, DE, 1997.
rd
17. Rogers, D. Computational Chemistry Using the PC, 3 Edition Wiley-Interscience (2003).
18. Quinn, C.M. Computational Quantum Chemistry, Series, Academic Press (2002).
59
Research Training during M.Sc. Chemistry Course
Science in the 21st century is rich with opportunity and challenges. Our pillars for success in this
complex world are all tied to interactions—between people and between disciplines. By building both
strong interpersonal connections between our students and faculty, and effective bridges between
disciplines, entering Master degree students in the Department of Chemistry can thrive at the
frontiers of research if research is pursued at interface of chemistry and Biology. Hence we must
start Chemical Biology as one of the specialization at master degree level, which would facilitate
collaboration and cross-disciplinary research.
Research should be primary focus of our Master’s degree programs, with students choosing faculty as
Advisors and beginning active research during their first year. Our faculty must share with M.Sc
students a rich training in the unique tools of chemical inquiry and a commitment to scientific
investigation at the molecular level. For their initial research, we must encourage students to explore
problems of intrinsic interest and importance at the frontiers of chemical science. We must offer many
opportunities for interdisciplinary studies. Interaction with other departments and groups is common,
both within University of Delhi and at other research Centers in the University and neighbouring area.
Thesis research will become a significant focus following an initial period of coursework, teaching,
and sampling of research opportunities through our laboratory rotation system
Therefore, Department of Chemistry has decided to have Master’s degree (M.Sc) in Chemistry with
specialization in: Inorganic, Chemistry, Physical for this year.
However, from next year the department propose to have additional specializations at M.Sc
level, viz: Chemical Biology, Material Science, Computational Chemistry and Analytical
Chemistry.
Department of Chemistry has also decided to attach each and every M.Sc (F) student with a faculty
member to complete a research project work of 100 marks ( 4 credits), based on an original piece of
research. It may kindly be included in the preamble of the Syllabi of our M.Sc Chemistry.
In addition, it is proposed that the Faculty of Science should provide some compulsory Auditing
Courses for M.Sc students across the faculty, like:
1. Ethics Education in Science

2. Lab Safety
3. IPR (Intellectual Property Right)
4. Research Methodology
5. Law in Science or Science and Law
6. Molecular Modelling & Computational Biology
7. Forensic Chemistry
60

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Syllabus for M.Sc. Ph.D.

TWO YEARS FULL TIME PROGRAMME

RULES, REGULATIONS AND COURSE CONTENTS

TWO YEARS FULL TIME PROGRAMME

Part I First Year Semester I Semester II

Semester Core courses Elective courses Open elective courses Total

Number of elective courses Nil

Total credits in Semester I 18

Number of elective courses Nil

Total credits in Semester II 18

Number of elective courses One ( 1 Practical)

Number of open electives One

Total credits in Semester III 24

Number of elective courses Four ( 3 Theory + 1 Practical)

Total credits in elective course 20

Number of open electives One ( 1 Theory)

Total credits in Semester IV 24

Examination and Scheme of Papers

Paper 102 Organic Chemistry – I 3 100 4

Paper 103 Physical Chemistry – I 3 100 4

Paper 202 Organic Chemistry – II 3 100 4

Paper 203 Physical Chemistry – II 3 100 4

Paper 4305 Physical Chemistry Special 3 100 4

Paper 101- Inorganic Chemistry-I (Core course 1) (100 Marks/ 4 Credits)

Course B: Supramolecular and Photoinorganic Chemistry

Practical core course 1 (50 Marks/ 2 credits)

Paper 102- Organic Chemistry-I (Core course 2) (100 Marks/ 4 Credits)

Course B: Stereochemistry of Organic Compounds

Practical core course 2 (50 Marks/ 2 credits)

Paper 103 - Physical Chemistry-I (Core course 3) (100 Marks/ 4 Credits)

Course A: Quantum Chemistry and Approximate Methods

Course B: Mathematical and quantum methods

1. Lowe, J. P. & Peterson, K. Quantum Chemistry Academic Press (2005).

Practical core course 3 (50 Marks/ 2 Credits)

Paper 201-Inorganic Chemistry-II (Core course 4) (100 Marks/ 4 Credits)

Course A: Group Theory and its Applications

Course B: Chemistry of d-and f-block elements:

Practical Core Course 4 (50 Marks/ 2 Credits)

Paper 202- Organic Chemistry-II (Core course 5) (100 Marks/ 4 Credits)

Practical Core Course 5 (50 Marks/ 2 credits)

Course A: Statistical Mechanic and Thermodynamics

Course B: Macromolecules, Electrochemistry and Kinetics

Practical Core Course 6 (50 Marks/ 2 Credits)

Course B: Catalysis and Bio-inorganic Chemistry

Paper 302-Organic Chemistry-II (Core course 8) (100 Marks/ 4 Credits)

Course B: Medicinal Chemistry

Paper 303- Physical Chemistry-III (Core course 9) (100 Marks/ 4 Credits)

Course A: Molecular Structure and Spectroscopy

Course B: Diffraction Method, Electronic Spectroscopy, NMR & Mossbauer

Paper 3101-Inorganic Chemistry (Special-I/ Open Elective 1)

Course B: Introduction to the Solution of Multielectron Problems

Paper 3102-Inorganic Chemistry (Special II/ Open Elective 1)

Course A: Properties of Nanomaterials

Optical Properties: Photoconductivity, Optical absorption & transmission,

Course B: Synthesis and Characterization of Nanomaterials

Chemistry of Life Processes and Bioactive Compounds

Course A: Chemistry of Life Processes

Course B: Bioactive Compounds