High resolution microwave spectrum and torsional potential energy surfaces of trans-crotyl alcohol

Abstract

The high resolution microwave spectrum of trans crotyl alcohol, CH₃-CH=CH-CH₂-OH, is reported for the normal and -OD isotopic species. The assigned transitions are consistent with a hydrogen bonded conformation having the oxygen atom skew with respect to the C=C bond and the hydroxylic hydrogen gauche with respect to the C-C bond. The analysis of the A-E doublings in the ground and some torsionally excited states allowed the potential energy surfaces of the methyl and skeletal torsions to be inferred and the kinetic and potential energy interaction between the two motions, through the use of a two-dimensional flexible model, to the determined. The electric dipole moment has also been determined.