Reduction formula for point group D3



Characters for molecular motions
Motion E 2C3 (z) 3C'2
Cartesian 3N 120 0 0
Translation 3 0 -1
Rotation 3 0 -1
Vibration 114 0 2



Decomposition into Irreducible representations
Motion A1 A2 E Total
Cartesian 3N 20 20 40 80
Translation 0 1 1 2
Rotation 0 1 1 2
Vibration 20 18 38 76



Molecule Parameter
Number of Atoms (N) 40
Number of internal coordinates 114
Number of independant internal coordinates 20
Number of vibrational modes 76





Force field analysis


Allowed / forbidden vibronational transitions
Operator A1 A2 E Total
Linear (IR) 20 18 38 56 / 20
Quadratic (Raman) 20 18 38 58 / 18
IR + Raman - - 38 38 / 0



Characters of symmetric powers for vibration representation
Force field Tensor
Order
E 2C3 (z) 3C'2
linear 1 114 0 2
quadratic 2 6.555 0 59
cubic 3 253.460 38 116
quartic 4 7.413.705 0 1.769
quintic 5 174.963.438 0 3.422
sextic 6 3.470.108.187 741 35.931


Decomposition into Irreducible representations
Force field Tensor
Order
A1 A2 E
linear 1 20 18 38
quadratic 2 1.122 1.063 2.185
cubic 3 42.314 42.198 84.474
quartic 4 1.236.502 1.234.733 2.471.235
quintic 5 29.162.284 29.158.862 58.321.146
sextic 6 578.369.577 578.333.646 1.156.702.482


Literature




Character tables for chemically important point groups Character table for point group D3 Jacobs University Bremen

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