Reduction formula for point group T



Characters for molecular motions
Motion E 4C3 4(C3)2 3C2
Cartesian 3N 57 0 0 -3
Translation 3 0 0 -1
Rotation 3 0 0 -1
Vibration 51 0 0 -1



Decomposition into Irreducible representations
Motion A E T Total
Cartesian 3N 4 4 15 23
Translation 0 0 1 1
Rotation 0 0 1 1
Vibration 4 4 13 21



Molecule Parameter
Number of Atoms (N) 19
Number of internal coordinates 51
Number of independant internal coordinates 4
Number of vibrational modes 21





Force field analysis


Allowed / forbidden vibronational transitions
Operator A E T Total
Linear (IR) 4 4 13 13 / 8
Quadratic (Raman) 4 4 13 21 / 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 51 0 0 -1
quadratic 2 1.326 0 0 26
cubic 3 23.426 17 17 -26
quartic 4 316.251 0 0 351
quintic 5 3.478.761 0 0 -351
sextic 6 32.468.436 153 153 3.276


Decomposition into Irreducible representations
Force field Tensor
Order
A E T
linear 1 4 4 13
quadratic 2 117 117 325
cubic 3 1.957 1.940 5.863
quartic 4 26.442 26.442 78.975
quintic 5 289.809 289.809 869.778
sextic 6 2.706.624 2.706.471 8.116.290


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