Reduction formula for point group Ci



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



Decomposition into Irreducible representations
Motion Ag Au Total
Cartesian 3N 78 78 156
Translation (x,y,z) 0 3 3
Rotation (Rx,Ry,Rz) 3 0 3
Vibration 75 75 150



Molecule Parameter
Number of Atoms (N) 52
Number of internal coordinates 150
Number of independant internal coordinates 75
Number of vibrational modes 150





Force field analysis


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



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E i
linear 1 150 0
quadratic 2 11.325 75
cubic 3 573.800 0
quartic 4 21.947.850 2.850
quintic 5 675.993.780 0
sextic 6 17.463.172.650 73.150


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
Ag Au
linear 1 75 75
quadratic 2 5.700 5.625
cubic 3 286.900 286.900
quartic 4 10.975.350 10.972.500
quintic 5 337.996.890 337.996.890
sextic 6 8.731.622.900 8.731.549.750


Literature




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

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