Abstract
Theoretical conformational analysis of divinyl selenide was performed in terms of the Moller-Plesset second-order perturbation theory (MP2/6-311G**). Angular distribution of the probability density of populations of its rotational conformers was determined by analysis of the rotational potential energy surface. Divinyl sulfide was found to exist as an equilibrium mixture of three conformers having essentially nonplanar structure; the major conformer is syn-s-cis-s-trans, and the two others are syn- and anti-s-trans-s-trans with higher energy.
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