Reduction formula for point group C8
Your representation
E |
C8 |
C4 |
(C8)3 |
C2 |
(C8)5 |
(C4)3 |
(C8)7 |
99 |
2.4142 |
1 |
-0.4142 |
-1 |
-0.4142 |
1 |
2.4142 |
can be reduced to
A |
B |
E1 |
E2 |
E3 |
13 |
12 |
13 |
12 |
12 |
Substraction of translational and rotational contributions results in
A |
B |
E1 |
E2 |
E3 |
11 |
12 |
11 |
12 |
12 |
Force field analysis
Infrared and Raman activities (harmonic approximation)
Method |
A |
B |
E1 |
E2 |
E3 |
Infrared |
+ |
- |
+ |
- |
- |
Raman |
+ |
- |
+ |
+ |
- |
Number of force field parameters
Force field |
No. 1 |
No. 2 |
No. 3 |
linear |
93 |
93 |
11 |
quadratic |
8649 |
4371 |
553 |
cubic |
804357 |
138415 |
17307 |
quartic |
74805201 |
3321960 |
415392 |
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 |
A |
B |
E1 |
E2 |
E3 |
linear |
11 |
12 |
11 |
12 |
12 |
quadratic |
553 |
552 |
541 |
552 |
540 |
cubic |
17307 |
17308 |
17296 |
17308 |
17296 |
quartic |
415392 |
415392 |
415104 |
415380 |
415104 |
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