Reduction formula for point group D3



Characters for molecular motions
Motion E 2C3 (z) 3C'2
Cartesian 3N 180 0 0
Translation 3 0 -1
Rotation 3 0 -1
Vibration 174 0 2



Decomposition into Irreducible representations
Motion A1 A2 E Total
Cartesian 3N 30 30 60 120
Translation 0 1 1 2
Rotation 0 1 1 2
Vibration 30 28 58 116



Molecule Parameter
Number of Atoms (N) 60
Number of internal coordinates 174
Number of independant internal coordinates 30
Number of vibrational modes 116





Force field analysis


Allowed / forbidden vibronational transitions
Operator A1 A2 E Total
Linear (IR) 30 28 58 86 / 30
Quadratic (Raman) 30 28 58 88 / 28
IR + Raman - - 58 58 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E 2C3 (z) 3C'2
linear 1 174 0 2
quadratic 2 15.225 0 89
cubic 3 893.200 58 176
quartic 4 39.524.100 0 4.004
quintic 5 1.407.057.960 0 7.832
sextic 6 41.977.229.140 1.711 121.396


Decomposition into Irreducible representations
Force field Tensor
Order
A1 A2 E
linear 1 30 28 58
quadratic 2 2.582 2.493 5.075
cubic 3 148.974 148.798 297.714
quartic 4 6.589.352 6.585.348 13.174.700
quintic 5 234.513.576 234.505.744 469.019.320
sextic 6 6.996.266.125 6.996.144.729 13.992.409.143


Literature




Character tables for chemically important point groups Character table for point group D3 Jacobs University Bremen

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