Partes Del SEM
Partes Del SEM
Partes Del SEM
F(r) = – k (r - re)
m1
m2
Force Constant Equilibrium length
Actual length
V(r) = 1 k (r – re)2
2
Vibrational frequency, n
The vibrational frequency is given by:
m m
n = 1 k
Hz = m + m2
1
kg
2 1 2
= mm 1+mm2 u kg
Where u is the unified mass
1 2 constant u = 1.66 10-27 kg
Vibrational frequency - wavenumbers, cm-1
n = 1/l and c = lnso n = n / c The SI unit of wavenumber is m-1.
But cm-1 is more common.
n/m n/cm 100
The vibrational frequency n = 1 k
in cm-1 is given by: 200 c cm-1
Selection rule
Absorption of light only occurs for ∆v = ± 1
This means that each transition has the same energy change.
Interaction with light
1. Light has an oscillating electric field.
2. The molecule must also possess an oscillating electric field (at
the same frequency).
3. Photon energy must equal the difference between energy levels.
Oscillating dipole
1. Heteronuclear diatomics have a dipole due to the uneven
electron distribution around each atom.
2. The dipole is the product of the charge distance apart.
3. Bond vibrations change the distance and hence the dipole
oscillates. This creates an oscillating electric field.
d+ d+ d+ d+
d+
d- d- d- d-
d-
max min
Infrared inactive
1. Homonuclear diatomics (H2, N2, Cl2 etc.) do not have a dipole
and cannot absorb light in the IR to excite bond vibrations. (The
vibrational motion of homonuclear diatomics can be probed
using RAMAN spectroscopy).
3n–6 = 34–6 = 6
6 vibrational modes
IR spectrum of 1-propanol
CH2
bending
C-C stretch
OH stretch Backbone
CH3 stretch stretches
312–6 = 30
Wavenumber 30 vibrational modes
Backbone
CH3 stretches stretches
OH stretches carboxyl
stretches
Amide I Amide II
Protein Amide I: 1690-1600
Protein Amide II: 1575-1480
Amide Band Assignments
Amide A is 95% due to the the N-H stretching vibration. It is very sensitive to the
strength of the hydrogen bond.
Amide I is primarily governed by the stretching vibrations of the C=O (70-85%) and
C-N groups (10-20%).
Amide II derives mainly from in-plane N-H bending (40-60%). The rest arises from
the C-N (18-40%) and the C-C (about 10%) stretching vibrations.
Amide III, V are very complex bands dependent nature of side chains and hydrogen
bonding - only of limited use for the extraction of structural information.
Amide I band
-helix 1650