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Proceedings Paper

Far Infrared Spectra Of The Haloacetyl Halides
Author(s): J. R. Durig; Wenyun Zhao; H. V. Phan; T. S. Little
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Paper Abstract

The far infrared spectra (350 to 35 cm-1) of a series of haloacetyl halides, CH2XCY0, in the vapor phase have been recorded at a resolution of 0.10 cm-1. The fundamental asymmetric torsional frequencies of the more stable trans (two halogen atoms oriented trans to one another) and high energy conformers have been observed and the asymmetric torsional potential functions governing internal rotation about the C-C bond have been determined. The conformation of the high energy rotamer is cis or gauche depending on the size and position of the substituted halogen. Ab initio calculations at the 3-21G, 3-21G* and 6-31G* basis set levels of the optimized geometries, potential surfaces and vibrational frequencies are used to support the conclusions made from the experimental results.

Paper Details

Date Published: 1 December 1989
PDF: 2 pages
Proc. SPIE 1145, 7th Intl Conf on Fourier Transform Spectroscopy, (1 December 1989); doi: 10.1117/12.969565
Show Author Affiliations
J. R. Durig, University of South Carolina (United States)
Wenyun Zhao, University of South Carolina (United States)
H. V. Phan, University of South Carolina (United States)
T. S. Little, University of South Carolina (United States)


Published in SPIE Proceedings Vol. 1145:
7th Intl Conf on Fourier Transform Spectroscopy

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