Reduction formula for point group D8

Your representation

E 2C8 2C4 2(C8)3 C2 4C'2 4C''2
72 0.0000 0 -0.0000 0 -4 -2

can be reduced to

A1 A2 B1 B2 E1 E2 E3
3 6 4 5 9 9 9

Substraction of translational and rotational contributions results in

A1 A2 B1 B2 E1 E2 E3
3 4 4 5 7 9 9



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 66 66 3
quadratic 4356 2211 159
cubic 287496 50116 3117
quartic 18974736 864501 54372
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 3 4 4 5 7 9 9
quadratic 159 125 140 139 274 280 270
cubic 3117 3151 3121 3155 6254 6274 6258
quartic 54372 53777 54089 54055 107986 108136 107982

Number of independant internal coordinates 3

Literature




Character tables for chemically important point groups Character table for point group D8 Constructor University Bremen

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