Reduction formula for point group D2



Characters for molecular motions
Motion E C2 (z) C2 (y) C2 (x)
Cartesian 3N 66 -2 -2 -2
Translation 3 -1 -1 -1
Rotation 3 -1 -1 -1
Vibration 60 0 0 0



Decomposition into Irreducible representations
Motion A B1 B2 B3 Total
Cartesian 3N 15 17 17 17 66
Translation 0 1 1 1 3
Rotation 0 1 1 1 3
Vibration 15 15 15 15 60



Molecule Parameter
Number of Atoms (N) 22
Number of internal coordinates 60
Number of independant internal coordinates 15
Number of vibrational modes 60





Force field analysis


Allowed / forbidden vibronational transitions
Operator A B1 B2 B3 Total
Linear (IR) 15 15 15 15 45 / 15
Quadratic (Raman) 15 15 15 15 60 / 0
IR + Raman - 15 15 15 45 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2 (z) C2 (y) C2 (x)
linear 1 60 0 0 0
quadratic 2 1.830 30 30 30
cubic 3 37.820 0 0 0
quartic 4 595.665 465 465 465
quintic 5 7.624.512 0 0 0
sextic 6 82.598.880 4.960 4.960 4.960


Decomposition into Irreducible representations
Force field Tensor
Order
A B1 B2 B3
linear 1 15 15 15 15
quadratic 2 480 450 450 450
cubic 3 9.455 9.455 9.455 9.455
quartic 4 149.265 148.800 148.800 148.800
quintic 5 1.906.128 1.906.128 1.906.128 1.906.128
sextic 6 20.653.440 20.648.480 20.648.480 20.648.480


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