Reduction formula for point group C4v



Characters for molecular motions
Motion E 2C4 (z) C2 2v 2d
Cartesian 3N 21 3 -3 5 3
Translation (x,y,z) 3 1 -1 1 1
Rotation (Rx,Ry,Rz) 3 1 -1 -1 -1
Vibration 15 1 -1 5 3



Decomposition into Irreducible representations
Motion A1 A2 B1 B2 E Total
Cartesian 3N 5 1 2 1 6 15
Translation (x,y,z) 1 0 0 0 1 2
Rotation (Rx,Ry,Rz) 0 1 0 0 1 2
Vibration 4 0 2 1 4 11



Molecule Parameter
Number of Atoms (N) 7
Number of internal coordinates 15
Number of independant internal coordinates 4
Number of vibrational modes 11





Force field analysis


Allowed / forbidden vibronational transitions
Operator A1 A2 B1 B2 E Total
Linear (IR) 4 0 2 1 4 8 / 3
Quadratic (Raman) 4 0 2 1 4 11 / 0
IR + Raman 4 0 - - 4 8 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E 2C4 (z) C2 2v 2d
linear 1 15 1 -1 5 3
quadratic 2 120 0 8 20 12
cubic 3 680 0 -8 60 28
quartic 4 3.060 4 36 160 72
quintic 5 11.628 4 -36 376 144
sextic 6 38.760 0 120 820 300


Decomposition into Irreducible representations
Number of nonvanshing force constants
Force field Tensor
Order
A1 A2 B1 B2 E
linear 1 4 0 2 1 4
quadratic 2 24 8 18 14 28
cubic 3 106 62 92 76 172
quartic 4 446 330 408 364 756
quintic 5 1.580 1.320 1.506 1.390 2.916
sextic 6 5.140 4.580 4.990 4.730 9.660


Literature




Character tables for chemically important point groups Character table for point group C4v Constructor University Bremen

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