Reduction formula for point group C2h



Characters for molecular motions
Motion E C2 (z) i h
Cartesian 3N 156 -2 0 14
Translation (x,y,z) 3 -1 -3 1
Rotation (Rx,Ry,Rz) 3 -1 3 -1
Vibration 150 0 0 14



Decomposition into Irreducible representations
Motion Ag Bg Au Bu Total
Cartesian 3N 42 36 35 43 156
Translation (x,y,z) 0 0 1 2 3
Rotation (Rx,Ry,Rz) 1 2 0 0 3
Vibration 41 34 34 41 150



Molecule Parameter
Number of Atoms (N) 52
Number of internal coordinates 150
Number of independant internal coordinates 41
Number of vibrational modes 150





Force field analysis


Allowed / forbidden vibronational transitions
Operator Ag Bg Au Bu Total
Linear (IR) 41 34 34 41 75 / 75
Quadratic (Raman) 41 34 34 41 75 / 75
IR + Raman - - - - 0* / 0
* Center of inversion: Mutual Exclusion Principle



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E C2 (z) i h
linear 1 150 0 0 14
quadratic 2 11.325 75 75 173
cubic 3 573.800 0 0 1.512
quartic 4 21.947.850 2.850 2.850 11.866
quintic 5 675.993.780 0 0 79.492
sextic 6 17.463.172.650 73.150 73.150 490.042


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
Ag Bg Au Bu
linear 1 41 34 34 41
quadratic 2 2.912 2.788 2.788 2.837
cubic 3 143.828 143.072 143.072 143.828
quartic 4 5.491.354 5.483.996 5.483.996 5.488.504
quintic 5 169.018.318 168.978.572 168.978.572 169.018.318
sextic 6 4.365.952.248 4.365.670.652 4.365.670.652 4.365.879.098


Literature




Character tables for chemically important point groups Character table for point group C2h Constructor University Bremen

Last update November, 13th 2023 by A. Gelessus, Impressum, Datenschutzerklärung/DataPrivacyStatement