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Proceedings Paper

A Comment To The Expansion Of Benzene Force Fields
Author(s): Martin Ystenes
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Paper Abstract

An extensive vibrational analysis of ethyl benzoate (EB) and its titanium tetrachloride complexes (1) has been performed. The phenyl force field was constructed by expanding a slightly modified Pulay-Fogorasi-Boggs benzene field (2) in three steps, through bromo-benzene, benzoic acid, and finally the ester (3). A good fit to the observed frequencies and splitting of the degenerate benzene vibrations was emphasized in all three steps.

Paper Details

Date Published: 1 December 1989
PDF: 1 pages
Proc. SPIE 1145, 7th Intl Conf on Fourier Transform Spectroscopy, (1 December 1989); doi: 10.1117/12.969497
Show Author Affiliations
Martin Ystenes, The Norwegian Institute of Technology (Norway)

Published in SPIE Proceedings Vol. 1145:
7th Intl Conf on Fourier Transform Spectroscopy
David G. Cameron, Editor(s)

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