Reduction formula for point group D4d
Your representation
| E |
2S8 |
2C4 |
2(S8)3 |
C2 |
4C'2 |
4 d |
| 48 |
0.0000 |
0 |
-0.0000 |
0 |
-4 |
0 |
can be reduced to
| A1 |
A2 |
B1 |
B2 |
E1 |
E2 |
E3 |
| 2 |
4 |
2 |
4 |
6 |
6 |
6 |
Substraction of translational and rotational contributions results in
| A1 |
A2 |
B1 |
B2 |
E1 |
E2 |
E3 |
| 2 |
3 |
2 |
3 |
5 |
6 |
5 |
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 |
2 |
3 |
2 |
3 |
5 |
6 |
5 |
| quadratic |
69 |
47 |
59 |
58 |
110 |
115 |
110 |
| cubic |
819 |
841 |
819 |
841 |
1650 |
1662 |
1650 |
| quartic |
9458 |
9205 |
9342 |
9320 |
18590 |
18655 |
18590 |
| Number of independant internal coordinates |
2 |
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