Reduction formula for point group Ci



Characters for molecular motions
Motion E i
Cartesian 3N 72 0
Translation (x,y,z) 3 -3
Rotation (Rx,Ry,Rz) 3 3
Vibration 66 0



Decomposition into Irreducible representations
Motion Ag Au Total
Cartesian 3N 36 36 72
Translation (x,y,z) 0 3 3
Rotation (Rx,Ry,Rz) 3 0 3
Vibration 33 33 66



Molecule Parameter
Number of Atoms (N) 24
Number of internal coordinates 66
Number of independant internal coordinates 33
Number of vibrational modes 66





Force field analysis


Allowed / forbidden vibronational transitions
Operator Ag Au Total
Linear (IR) 33 33 33 / 33
Quadratic (Raman) 33 33 33 / 33
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 66 0
quadratic 2 2.211 33
cubic 3 50.116 0
quartic 4 864.501 561
quintic 5 12.103.014 0
sextic 6 143.218.999 6.545


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
Ag Au
linear 1 33 33
quadratic 2 1.122 1.089
cubic 3 25.058 25.058
quartic 4 432.531 431.970
quintic 5 6.051.507 6.051.507
sextic 6 71.612.772 71.606.227


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