Reduction formula for point group D2



Characters for molecular motions
Motion E C2 (z) C2 (y) C2 (x)
Cartesian 3N 57 -3 -3 -3
Translation 3 -1 -1 -1
Rotation 3 -1 -1 -1
Vibration 51 -1 -1 -1



Decomposition into Irreducible representations
Motion A B1 B2 B3 Total
Cartesian 3N 12 15 15 15 57
Translation 0 1 1 1 3
Rotation 0 1 1 1 3
Vibration 12 13 13 13 51



Molecule Parameter
Number of Atoms (N) 19
Number of internal coordinates 51
Number of independant internal coordinates 12
Number of vibrational modes 51





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B1 B2 B3 Total
Linear (IR) 12 13 13 13 39 / 12
Quadratic (Raman) 12 13 13 13 51 / 0
IR + Raman - 13 13 13 39 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2 (z) C2 (y) C2 (x)
linear 1 51 -1 -1 -1
quadratic 2 1.326 26 26 26
cubic 3 23.426 -26 -26 -26
quartic 4 316.251 351 351 351
quintic 5 3.478.761 -351 -351 -351
sextic 6 32.468.436 3.276 3.276 3.276


Decomposition into Irreducible representations
Force field Tensor
Order
A B1 B2 B3
linear 1 12 13 13 13
quadratic 2 351 325 325 325
cubic 3 5.837 5.863 5.863 5.863
quartic 4 79.326 78.975 78.975 78.975
quintic 5 869.427 869.778 869.778 869.778
sextic 6 8.119.566 8.116.290 8.116.290 8.116.290


Literature




Character tables for chemically important point groups Character table for point group D2 Jacobs University Bremen

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