Abstract
Single crystal X-ray diffraction reveals that 4,40-bis(tetrahydrothiopyranyl) crystallizes in an equatorial– equatorial geometry with a gauche conformation along the central carbon–carbon bond. B3LYP/6-311G and MP2/6-311G calculations show that the antiperiplanar conformation is higher in energy than the gauche one because of sulfur induced stretching and widening of the cyclohexane-like rings.
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