Reduction formula for point group T



Characters for molecular motions
Motion E 4C3 4(C3)2 3C2
Cartesian 3N 60 0 0 0
Translation 3 0 0 -1
Rotation 3 0 0 -1
Vibration 54 0 0 2



Decomposition into Irreducible representations
Motion A E T Total
Cartesian 3N 5 5 15 25
Translation 0 0 1 1
Rotation 0 0 1 1
Vibration 5 5 13 23



Molecule Parameter
Number of Atoms (N) 20
Number of internal coordinates 54
Number of independant internal coordinates 5
Number of vibrational modes 23





Force field analysis


Allowed / forbidden vibronational transitions
Operator A E T Total
Linear (IR) 5 5 13 13 / 10
Quadratic (Raman) 5 5 13 23 / 0
IR + Raman - - 13 13 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E 4C3 4(C3)2 3C2
linear 1 54 0 0 2
quadratic 2 1.485 0 0 29
cubic 3 27.720 18 18 56
quartic 4 395.010 0 0 434
quintic 5 4.582.116 0 0 812
sextic 6 45.057.474 171 171 4.466


Decomposition into Irreducible representations
Force field Tensor
Order
A E T
linear 1 5 5 13
quadratic 2 131 131 364
cubic 3 2.336 2.318 6.916
quartic 4 33.026 33.026 98.644
quintic 5 382.046 382.046 1.145.326
sextic 6 3.756.020 3.755.849 11.263.252


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