Reduction formula for point group S10
Your representation
| E |
C5 |
(C5)2 |
(C5)3 |
(C5)4 |
i |
(S10)7 |
(S10)9 |
S10 |
(S10)3 |
| 120 |
0.0000 |
-0.0000 |
-0.0000 |
0.0000 |
0 |
-0.0000 |
0.0000 |
0.0000 |
-0.0000 |
can be reduced to
| Ag |
E1g |
E2g |
Au |
E1u |
E2u |
| 12 |
12 |
12 |
12 |
12 |
12 |
Substraction of translational and rotational contributions results in
| Ag |
E1g |
E2g |
Au |
E1u |
E2u |
| 11 |
11 |
12 |
11 |
11 |
12 |
Force field analysis
Infrared and Raman activities (harmonic approximation)
| Method |
Ag |
E1g |
E2g |
Au |
E1u |
E2u |
| Infrared |
- |
- |
- |
+ |
+ |
- |
| Raman |
+ |
+ |
+ |
- |
- |
- |
Number of force field parameters
| Force field |
No. 1 |
No. 2 |
No. 3 |
| linear |
114 |
114 |
11 |
| quadratic |
12996 |
6555 |
662 |
| cubic |
1481544 |
253460 |
25344 |
| quartic |
168896016 |
7413705 |
741537 |
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 |
Ag |
E1g |
E2g |
Au |
E1u |
E2u |
| linear |
11 |
11 |
12 |
11 |
11 |
12 |
| quadratic |
662 |
662 |
660 |
651 |
650 |
649 |
| cubic |
25344 |
25346 |
25347 |
25344 |
25346 |
25347 |
| quartic |
741537 |
741536 |
741535 |
741206 |
741206 |
741204 |
| Number of independant internal coordinates |
11 |
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