A Three-Dimensional Energy Surface for the Conformational Inversion of Cyclohexane

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Abstract

While it is well known that chair forms of cyclohexane can interconvert without passing through the boat conformation, the same statement frequently comprises a source of confusion regarding the location of the boat conformation on the energy surface of the conformational inversion of cyclohexane. To alleviate this problem, a novel three-dimensional energy diagram has been introduced showing explicitly how the chair forms of cyclohexane interconvert through twist conformations along a first reaction coordinate that coincides with the x direction of a Cartesian system of coordinates, while simultaneously the twist conformations have the potential to interconvert through boat conformation transition states (pseudorotation) along a second reaction coordinate that coincides with the y direction of the same system of coordinates.

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