Symmetry and Group Theory
Symmetry and Group Theory
Symmetry and Group Theory
Symmetry Operations/Elements
A molecule or object is said to possess a particular operation if that operation when applied leaves the molecule unchanged. Each operation is performed relative to a point, line, or plane - called a symmetry element. There are 5 kinds of operations 1. Identity 2. n-Fold Rotations 3. Reflection 4. Inversion
1. Identity is indicated as E
does nothing, has no effect all molecules/objects possess the identity operation, i.e., posses E. E has the same importance as the number 1 does in multiplication (E is needed in order to define inverses).
However, rotation by 90 about the same axis does not give back the identical molecule Therefore H2O does NOT possess a C4 symmetry axis.
BF3 posses a C3 rotation axis of symmetry. (Both directions of rotation must be considered)
XeF4 is square planar. It has four DIFFERENT C2 axes It also has a C4 axis coming out of the page called the principle axis because it has the largest n. By convention, the principle axis is in the z-direction
XeF4 has two planes of symmetry parallel to the principle rotation axis: v XeF4 has two planes of symmetry parallel to the principle rotation axis and bisecting the angle between 2 C2 axes : d
XeF4 has one plane of symmetry perpendicular to the principle rotation axis: h
4. Inversion: i (the element that corresponds to this operation is a center of symmetry or inversion center)
The operation is to move every atom in the molecule in a straight line through the inversion center to the opposite side of the molecule.
5. Improper Rotations: Sn
n-fold rotation followed by reflection through mirror plane perpendicular to rotation axis Note: n is always 3 or larger because S1 and S2 i.
These are different, therefore this molecule does not posses a C3 symmetry axis.
This molecule posses the following symmetry elements: C3, 3 d, i, 3 C2, S6. There is no C3 or h. Eclipsed ethane posses the following symmetry elements: C3, 3 v, 3 C2, S3, h. There is no S6 or i.
Compiling all the symmetry elements for staggered ethane yields a Symmetry Group called D3d. Compiling all the symmetry elements for eclipsed ethane yields a Symmetry Group called D3h. Symmetry group designations will be discussed in detail shortly
v 'v
'v 'v v C2
Note: the table is closed, i.e., the results of two operations is an operation in the group.
3. All elements must have an inverse i.e., for a given operation ( ) there must exist an operation ( ) such that
Point Groups
Low Symmetry Groups
C1: only E
C3:
C3v: E, C3, 3 v NH3 C v: E, C , v HF, HCN Cnh: E and Cn and h (and others as well) C2h: E, C2, h, i
D h: E, C , C2, h
H2
Sn Group
S2n: E, Cn, S2n (no mirror planes) S4, S6, S8, etc. (Note: never S3, S5, etc.) S4: E, C2, S4
Octahedral structures No need to identify all the symmetry elements - simply recognize Oh shape.
Ih: E, 12 C5, 20 C3, 15 C2, i, 12 S10, 20 S6, 15 Icosahedron Other rare high symmetry groups are T, Th,O, and I