Reduction formula for point group D8h
Your representation
E |
2C8 |
2(C8)3 |
2C4 |
C2 (z) |
4C2' |
4C2'' |
i |
2(S8)3 |
2S8 |
2S4 |
h |
4v |
4d |
48 |
0.0000 |
-0.0000 |
0 |
0 |
-4 |
0 |
0 |
-0.0000 |
0.0000 |
0 |
16 |
4 |
0 |
can be reduced to
A1g |
A2g |
B1g |
B2g |
E1g |
E2g |
E3g |
A1u |
A2u |
B1u |
B2u |
E1u |
E2u |
E3u |
2 |
2 |
2 |
2 |
2 |
4 |
2 |
0 |
2 |
0 |
2 |
4 |
2 |
4 |
Substraction of translational and rotational contributions results in
A1g |
A2g |
B1g |
B2g |
E1g |
E2g |
E3g |
A1u |
A2u |
B1u |
B2u |
E1u |
E2u |
E3u |
2 |
1 |
2 |
2 |
1 |
4 |
2 |
0 |
1 |
0 |
2 |
3 |
2 |
4 |
Force field analysis
Infrared and Raman activities (harmonic approximation)
Method |
A1g |
A2g |
B1g |
B2g |
E1g |
E2g |
E3g |
A1u |
A2u |
B1u |
B2u |
E1u |
E2u |
E3u |
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 |
A1g |
A2g |
B1g |
B2g |
E1g |
E2g |
E3g |
A1u |
A2u |
B1u |
B2u |
E1u |
E2u |
E3u |
linear |
2 |
1 |
2 |
2 |
1 |
4 |
2 |
0 |
1 |
0 |
2 |
3 |
2 |
4 |
quadratic |
47 |
23 |
35 |
33 |
48 |
68 |
46 |
24 |
25 |
22 |
24 |
64 |
47 |
62 |
cubic |
458 |
434 |
449 |
447 |
760 |
895 |
762 |
370 |
394 |
361 |
407 |
888 |
767 |
890 |
quartic |
5003 |
4704 |
4875 |
4829 |
8952 |
9699 |
8950 |
4467 |
4491 |
4455 |
4501 |
9640 |
8956 |
9638 |
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