Reduction formula for point group D3



Characters for molecular motions
Motion E 2C3 (z) 3C'2
Cartesian 3N 72 0 0
Translation 3 0 -1
Rotation 3 0 -1
Vibration 66 0 2



Decomposition into Irreducible representations
Motion A1 A2 E Total
Cartesian 3N 12 12 24 48
Translation 0 1 1 2
Rotation 0 1 1 2
Vibration 12 10 22 44



Molecule Parameter
Number of Atoms (N) 24
Number of internal coordinates 66
Number of independant internal coordinates 12
Number of vibrational modes 44





Force field analysis


Allowed / forbidden vibronational transitions
Operator A1 A2 E Total
Linear (IR) 12 10 22 32 / 12
Quadratic (Raman) 12 10 22 34 / 10
IR + Raman - - 22 22 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E 2C3 (z) 3C'2
linear 1 66 0 2
quadratic 2 2.211 0 35
cubic 3 50.116 22 68
quartic 4 864.501 0 629
quintic 5 12.103.014 0 1.190
sextic 6 143.218.999 253 7.735


Decomposition into Irreducible representations
Force field Tensor
Order
A1 A2 E
linear 1 12 10 22
quadratic 2 386 351 737
cubic 3 8.394 8.326 16.698
quartic 4 144.398 143.769 288.167
quintic 5 2.017.764 2.016.574 4.034.338
sextic 6 23.873.785 23.866.050 47.739.582


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