Abstract

The infra-red and Raman spectra of cyclohexene and cyclohexene-d10 have been studied between 4000 and 200 cm−1. A vibrational assignment is given which is consistent with both the i.r. rotational band shapes and Raman depolarization data. The assignment is supported by a theoretical prediction of the fundamental frequencies calculated with a zero order valence force field. This force field was transferred from previous calculations on hydrocarbons and cyclohexadiene 1–4, and it gave a correct interpretation of the experimental results.The force constants were then refined by the method of steepest descent. The resulting new force field can be used to predict the vibrational spectra of other cyclenes.

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