The raman spectra and the molecular structure of some aliphatic cyclic compounds

Abstract

The symmetry co-ordinates and the formulae for the ring frequencies of the cyclohexane molecule (symmetry S6u-trans form) have been obtained by employing the methods of group-theory. These are easily reduced to the formulae for the benzene ring frequencies given by Bossche and Manneback. Using the frequencies 802 and 382 (both polarised) as belonging to class A1 the C-C force constant (k1) is calculated as 3·77 × 105 dynes andd′ ( Open image in new window ) deformation as 503 × 105 dynes. Other frequencies calculated with these force constants are 709 [obs., 719 (st.) in infra-red] for class B1, 1110 (forbidden in both Raman effect and infra-red) for B2, 208 and 924 [obs. 906 (st.) in infra-red] for class E1 and 427 and 1086 (obs. 426 and 1028 in Raman effect) for class E2.