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Proceedings Paper

Vibrational spectra, conformational stabilities, and barriers to internal rotation of the difluoroacetyl halides
Author(s): Gamil A. Guirgis; H. V. Phan; T. A. Mohamed; J. F. Davis; James R. Durig
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Paper Abstract

The infrared (3200 to 20 cm-1) and Raman (3200 to 10 cm-1) spectra of gaseous and solid difluoroacetyl chloride (CF2HCClO), chlorodifluoroacetyl chloride (CF2ClCClO), and bromodifluoroacetyal chloride (CF2BrCClO) have been recorded. Additionally, the Raman spectra of the liquids with qualitative depolarization data have also been obtained. These spectral data have been interpreted on the basis that these molecules exist in the fluid phases as a mixture of the trans and gauche conformers. Ab initio calculations employing various basis sets have been used to obtain the more stable rotamer for all of these molecules.

Paper Details

Date Published: 31 January 1994
PDF: 2 pages
Proc. SPIE 2089, 9th International Conference on Fourier Transform Spectroscopy, (31 January 1994); doi: 10.1117/12.166720
Show Author Affiliations
Gamil A. Guirgis, Univ. of South Carolina (United States)
H. V. Phan, Univ. of South Carolina (United States)
T. A. Mohamed, Univ. of South Carolina (United States)
J. F. Davis, Univ. of South Carolina (United States)
James R. Durig, Univ. of South Carolina (United States)


Published in SPIE Proceedings Vol. 2089:
9th International Conference on Fourier Transform Spectroscopy
John E. Bertie; Hal Wieser, Editor(s)

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