Reduction formula for point group C3



Characters for molecular motions
Motion E C3 (C3)2
Cartesian 3N 78 0 0
Translation (x,y,z) 3 0 0
Rotation (Rx,Ry,Rz) 3 0 0
Vibration 72 0 0



Decomposition into Irreducible representations
Motion A E Total
Cartesian 3N 26 26 52
Translation (x,y,z) 1 1 2
Rotation (Rx,Ry,Rz) 1 1 2
Vibration 24 24 48



Molecule Parameter
Number of Atoms (N) 26
Number of internal coordinates 72
Number of independant internal coordinates 24
Number of vibrational modes 48





Force field analysis


Allowed / forbidden vibronational transitions
Operator A E Total
Linear (IR) 24 24 48 / 0
Quadratic (Raman) 24 24 48 / 0
IR + Raman 24 24 48 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C3 (C3)2
linear 1 72 0 0
quadratic 2 2.628 0 0
cubic 3 64.824 24 24
quartic 4 1.215.450 0 0
quintic 5 18.474.840 0 0
sextic 6 237.093.780 300 300


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A E
linear 1 24 24
quadratic 2 876 876
cubic 3 21.624 21.600
quartic 4 405.150 405.150
quintic 5 6.158.280 6.158.280
sextic 6 79.031.460 79.031.160


Literature




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

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