Wolfram Language

Conformations of Cyclohexane

Cyclohexane is a very important ring system, and its geometry has been widely studied. The Wolfram Language allows the exploration of the symmetries, energies and other properties of the various conformations.

Import and label the distinct conformations from a CloudObject containing "SDF" data.

Create a grid of the conformations.

The different conformations belong to different point groups.

The planar structure with point group has the highest symmetry, while the half-chair and half-boat have much lower symmetry.

Use the MMFF94 force field to compare the energetics for these conformations.

Illustrate point-group subduction, removing symmetry elements from the maximal symmetry group to smaller symmetric groups, with a labeled Graph.

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