Reduction formula for point group C3



Characters for molecular motions
Motion E C3 (C3)2
Cartesian 3N 72 0 0
Translation (x,y,z) 3 0 0
Rotation (Rx,Ry,Rz) 3 0 0
Vibration 66 0 0



Decomposition into Irreducible representations
Motion A E Total
Cartesian 3N 24 24 48
Translation (x,y,z) 1 1 2
Rotation (Rx,Ry,Rz) 1 1 2
Vibration 22 22 44



Molecule Parameter
Number of Atoms (N) 24
Number of internal coordinates 66
Number of independant internal coordinates 22
Number of vibrational modes 44





Force field analysis


Allowed / forbidden vibronational transitions
Operator A E Total
Linear (IR) 22 22 44 / 0
Quadratic (Raman) 22 22 44 / 0
IR + Raman 22 22 44 / 0



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


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A E
linear 1 22 22
quadratic 2 737 737
cubic 3 16.720 16.698
quartic 4 288.167 288.167
quintic 5 4.034.338 4.034.338
sextic 6 47.739.835 47.739.582


Literature




Character tables for chemically important point groups Character table for point group C3 Constructor University Bremen

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