Reduction formula for point group D8
Your representation
E |
2C8 |
2C4 |
2(C8)3 |
C2 |
4C'2 |
4C''2 |
72 |
0.0000 |
0 |
-0.0000 |
0 |
-4 |
-2 |
can be reduced to
A1 |
A2 |
B1 |
B2 |
E1 |
E2 |
E3 |
3 |
6 |
4 |
5 |
9 |
9 |
9 |
Substraction of translational and rotational contributions results in
A1 |
A2 |
B1 |
B2 |
E1 |
E2 |
E3 |
3 |
4 |
4 |
5 |
7 |
9 |
9 |
Force field analysis
Infrared and Raman activities (harmonic approximation)
Method |
A1 |
A2 |
B1 |
B2 |
E1 |
E2 |
E3 |
Infrared |
- |
+ |
- |
- |
+ |
- |
- |
Raman |
+ |
- |
- |
- |
+ |
+ |
- |
No. 1 : Total number of force constants .
No. 2 : Total number of force constants k.
No. 3 : Total number of nonvanishing force constants k.
Symmetry properties of force field parameters
Force field |
A1 |
A2 |
B1 |
B2 |
E1 |
E2 |
E3 |
linear |
3 |
4 |
4 |
5 |
7 |
9 |
9 |
quadratic |
159 |
125 |
140 |
139 |
274 |
280 |
270 |
cubic |
3117 |
3151 |
3121 |
3155 |
6254 |
6274 |
6258 |
quartic |
54372 |
53777 |
54089 |
54055 |
107986 |
108136 |
107982 |
Number of independant internal coordinates |
3 |
Literature
- J.K.G. Watson, J. Mol. Spec. 41 229 (1972)
The Numbers of Structural Parameters and Potential Constants of Molecules
Last update November, 13th 2023 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement