Reduction formula for point group D5h

Your representation

E 2C5 2(C5)2 5C'2 h 2S5 2(S5)3 5v
210 0.0000 -0.0000 0 10 -0.0000 -0.0000 4

can be reduced to

A'1 A'2 E'1 E'2 A''1 A''2 E''1 E''2
12 10 22 22 9 11 20 20

Substraction of translational and rotational contributions results in

A'1 A'2 E'1 E'2 A''1 A''2 E''1 E''2
12 9 21 22 9 10 19 20



Force field analysis

Infrared and Raman activities (harmonic approximation)
Method A'1 A'2 E'1 E'2 A''1 A''2 E''1 E''2
Infrared - - + - - + - -
Raman + - - + - - + -

Number of force field parameters
Force field No. 1 No. 2 No. 3
linear 204 204 12
quadratic 41616 20910 1107
cubic 8489664 1435820 72006
quartic 1731891456 74303685 3718611
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'1 A'2 E'1 E'2 A''1 A''2 E''1 E''2
linear 12 9 21 22 9 10 19 20
quadratic 1107 1000 2107 2105 1037 1040 2076 2075
cubic 72006 71693 143701 143702 71677 71784 143463 143464
quartic 3718611 3712839 7431449 7431448 3714488 3714801 7429289 7429287

Number of independant internal coordinates 12

Literature




Character tables for chemically important point groups Character table for point group D5h Jacobs University Bremen

Last update Mai, 23rd 2018 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement