Reduction formula for point group Ci



Characters for molecular motions
Motion E i
Cartesian 3N 48 0
Translation (x,y,z) 3 -3
Rotation (Rx,Ry,Rz) 3 3
Vibration 42 0



Decomposition into Irreducible representations
Motion Ag Au Total
Cartesian 3N 24 24 48
Translation (x,y,z) 0 3 3
Rotation (Rx,Ry,Rz) 3 0 3
Vibration 21 21 42



Molecule Parameter
Number of Atoms (N) 16
Number of internal coordinates 42
Number of independant internal coordinates 21
Number of vibrational modes 42





Force field analysis


Allowed / forbidden vibronational transitions
Operator Ag Au Total
Linear (IR) 21 21 21 / 21
Quadratic (Raman) 21 21 21 / 21
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 42 0
quadratic 2 903 21
cubic 3 13.244 0
quartic 4 148.995 231
quintic 5 1.370.754 0
sextic 6 10.737.573 1.771


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
Ag Au
linear 1 21 21
quadratic 2 462 441
cubic 3 6.622 6.622
quartic 4 74.613 74.382
quintic 5 685.377 685.377
sextic 6 5.369.672 5.367.901


Literature




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

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