Reduction formula for point group D4d

Your representation

E 2S8 2C4 2(S8)3 C2 4C'2 4d
24 0.0000 0 -0.0000 0 0 2

can be reduced to

A1 A2 B1 B2 E1 E2 E3
2 1 1 2 3 3 3

Substraction of translational and rotational contributions results in

A1 A2 B1 B2 E1 E2 E3
2 0 1 1 2 3 2



Force field analysis

Infrared and Raman activities (harmonic approximation)
Method A1 A2 B1 B2 E1 E2 E3
Infrared - - - + + - -
Raman + - - - - + +

Number of force field parameters
Force field No. 1 No. 2 No. 3
linear 18 18 2
quadratic 324 171 17
cubic 5832 1140 82
quartic 104976 5985 412
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 0 1 1 2 3 2
quadratic 17 6 12 12 20 22 20
cubic 82 62 72 72 140 146 140
quartic 412 347 379 379 740 754 740

Number of independant internal coordinates 2

Literature




Character tables for chemically important point groups Character table for point group D4d Constructor University Bremen

Last update November, 13th 2023 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement