VIBRATIONAL SPECTRA AND CONFORMATIONS OF (CHLOROMETHYL) THIIRANE
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Date
1987
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Publisher
Ohio State University
Abstract
The infrared spectra of (chioromethyl) thiirane in all three phases have been recorded, along with the Raman spectra of this compound in the condensed phases. Since both the liquid phase infrared and Raman spectra exhibit several ""doublets"" in which one member disappears upon crystallization, it has been concluded that (chloramethyl) thiirane exists in the liquid phase as an equilibrium mixture of two conformers, namely the gauche-1 and gauche-2 rotameric forms. From the temperature behavior of the Raman intensities of three liquid phase doublets, measured over the range 233 k - 293 k, an enthalpy difference between these two confarmers has been determined to be $1.1 \pm 0.2 cal/mole$. In addition, a vibrational assignment of the fundamental modes of this molecule has been proposed, and it is in excellent agreement with assignments proposed for similar compounds.
Description
Author Institution: Department of Chemistry, University of Missouri, 5100 Rockhill Road; Department of Chemistry, Mississippi State University