Reduction formula for point group D5
Your representation
| E |
2C5 (z) |
2(C5)2 |
5C'2 |
| 210 |
0.0000 |
-0.0000 |
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 |
+ |
- |
+ |
+ |
Number of force field parameters
| Force field |
No. 1 |
No. 2 |
No. 3 |
| linear |
204 |
204 |
21 |
| quadratic |
41616 |
20910 |
2144 |
| cubic |
8489664 |
1435820 |
143683 |
| quartic |
1731891456 |
74303685 |
7433099 |
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 |
21 |
19 |
40 |
42 |
| quadratic |
2144 |
2040 |
4183 |
4180 |
| cubic |
143683 |
143477 |
287164 |
287166 |
| quartic |
7433099 |
7427640 |
14860738 |
14860735 |
| Number of independant internal coordinates |
21 |
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