Reduction formula for point group T



Characters for molecular motions
Motion E 4C3 4(C3)2 3C2
Cartesian 3N 252 0 0 0
Translation 3 0 0 -1
Rotation 3 0 0 -1
Vibration 246 0 0 2



Decomposition into Irreducible representations
Motion A E T Total
Cartesian 3N 21 21 63 105
Translation 0 0 1 1
Rotation 0 0 1 1
Vibration 21 21 61 103



Molecule Parameter
Number of Atoms (N) 84
Number of internal coordinates 246
Number of independant internal coordinates 21
Number of vibrational modes 103





Force field analysis


Allowed / forbidden vibronational transitions
Operator A E T Total
Linear (IR) 21 21 61 61 / 42
Quadratic (Raman) 21 21 61 103 / 0
IR + Raman - - 61 61 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E 4C3 4(C3)2 3C2
linear 1 246 0 0 2
quadratic 2 30.381 0 0 125
cubic 3 2.511.496 82 82 248
quartic 4 156.340.626 0 0 7.874
quintic 5 7.817.031.300 0 0 15.500
sextic 6 327.012.476.050 3.403 3.403 333.250


Decomposition into Irreducible representations
Force field Tensor
Order
A E T
linear 1 21 21 61
quadratic 2 2.563 2.563 7.564
cubic 3 209.408 209.326 627.812
quartic 4 13.030.354 13.030.354 39.083.188
quintic 5 651.423.150 651.423.150 1.954.253.950
sextic 6 27.251.125.252 27.251.121.849 81.753.035.700


Literature




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

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