Abstract
The gas-phase molecular structure of cyclohexane and methylcyclohexane has been (re-)investigated, in order to establish the puckering of these rings. The influence of equatorial substitution on the geometry of the chair form is shown to be small. The puckering of cyclohexane, as defined by the average torsion angle, is ϕ = 55.9° and that of methylcyclohexane is ϕ av = 55.3°, both in good agreement with predictions based on improved force fields. No abnormal bond lengths, valency angles or amplitudes of vibration were observed.
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