VIBRATIONAL SPECTRA AND CONFORMATIONS OF (CYANOMETHYL)CYCLOPROPANE AND DICYCLOPROPYLMETHANE
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Date
1983
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Publisher
Ohio State University
Abstract
The infrared and Raman spectra of (cyanomethyl)cyclopropane and dicyclopropylmethane have been studied. Each molecule exhibits a conformational equilibrium in the fluid states while a single conformer exists in the crystalline solid state. Two sets of doublets exist in the Raman spectrum of liquid (cyanomethyl) cyclopropane and the temperature dependence of the line intensities is consistent with an energy difference of $0.70\pm$ 0.10 Kcal/mole with the gauche conformer more stable than the cis. In dicyclopropylmethane, at least two conformers exist in the liquid state, and these have been identified as gauche-gauche conformers exhibiting $C_{2}$ and $C_{8}$ molecular symmetries. The former was determined to be $0.93 \pm 0.10$ kcal/mole more stable than the latter. Comparisons with similar molecules and a discussion of the conformer equilibria will be given.
Description
Author Institution: Department of Chemistry, Mississippi state University Mississippi state; Department of Chemistry, University of Missouri Kansas City; Department of Chemistry, University of California --San Diego