Abstract
The complex OD stretching vibrational Raman profile of 1-propanol (OD) in the gas phase has been analysed with the aid of a quantum mechanical calculation model based on the assumption of an intramolecular interaction between the stretching vibrational and torsional motions of the OD group. An assignment of the three band components caused by rotational isomerism in the molecule has been possible. The transition of the profile from triplet to singlet structure with increasing temperature could be attributed to vibrational transitions in torsionally excited states.
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