MICROWAVE SPECTRUM OF CHLOROMETHYLTHIIRANE
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Date
1990
Journal Title
Journal ISSN
Volume Title
Publisher
Ohio State University
Abstract
The microwave spectrum of chloromethylthiirane (3-chloropropylene sulfide) has been recorded in the R- and K-band regions. Only one conformar has been assigned in the microwave spectrum even though two conformers have been identified in an electron diffraction study [1] and in the vibrational spectra of the fluid phases. B-type transitions dominate the microwave Spectrum, and the Stark effect and RFWM double resonance were used to confirm some assignments. Quadrupole hyperfine splittings were observed in some transitions as well. More than sixty Q- and R-branch transitions were used to determine the following rotational constants (MHz):[FIGURE] These rotational constants are consistent with a gauche-1 structure in which the non-bonded chlorine-sulfur distance is very small. In the electron diffraction study, this conformer was determined to be approximately 18\% abundant because it is less stable than the gauche-2 conformer (82\%) in which the chlorine-sulfur distance is at a maximum. The reasons for the apparent di discrepancy will be discussed along with other data which suggest the possible existence of three conformers of chloromethylthirane
Description
$^{1}$. Q. Shen and K. Hagen, J. Mol. Struct., 131,309 (1985).
Author Institution: Department of Physics and Astronomy, Mississippi State University; Armed Forces Institute of Pathology, Walter Reed Army Medical Center
Author Institution: Department of Physics and Astronomy, Mississippi State University; Armed Forces Institute of Pathology, Walter Reed Army Medical Center