Reduction formula for point group D5
Your representation
E |
2C5 (z) |
2(C5)2 |
5C'2 |
36 |
3.2361 |
-1.2361 |
0 |
can be reduced to
Substraction of translational and rotational contributions results in
Force field analysis
Infrared and Raman activities (harmonic approximation)
Method |
A1 |
A2 |
E1 |
E2 |
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 |
E1 |
E2 |
linear |
4 |
2 |
6 |
6 |
quadratic |
55 |
38 |
93 |
93 |
cubic |
512 |
480 |
992 |
992 |
quartic |
4168 |
4016 |
8184 |
8184 |
Number of independant internal coordinates |
4 |
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