Title

Microwave spectra of eight isotopic modifications of 1-chloro-1-fluoroethylene

Abstract

The rotational spectra of eight isotopomers of 1-chloro-1-fluoroethylene in the 6–22 GHz region have been collected and analyzed. Each rotational transition is split into hyperfine components by the chlorine (either 35Cl or 37Cl) nuclear quadrupole coupling interaction and additionally, one or more smaller interactions such as the spin–rotation interaction due to the fluorine atom, hydrogen–hydrogen spin–spin coupling interactions, and in appropriately substituted species, the deuterium nuclear quadrupole hyperfine interaction. The rotational constants derived from these isotopomers allow the determination of average and Kraitchman substitution structures for 1-chloro-1-fluoroethylene, whereas the availability of the diagonal chlorine nuclear quadrupole coupling constants for all the isotopomers provides complete quadrupole coupling tensors for both 35Cl and 37Cl. In the course of this work, the rotational spectrum of an excited vibrational state of the normal isotopomer was observed, which ab initio calculations suggest should be assigned to ν9=1ν9=1, an in-plane bending motion at the CFCl end of the molecule.

Publisher

Elsevier

Publication Date

1-1-2009

Publication Title

Journal of Molecular Spectroscopy

Department

Chemistry and Biochemistry

Document Type

Article

DOI

10.1016/j.jms.2008.11.002

Keywords

1-chloro-1-fluoroethylene, Microwave spectrum, Rotational spectrum, Molecular structure, Nuclear quadrupole coupling tenso

Language

English

Format

text

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