Vibrational spectra dihalogenated benzenes. I. In-plane vibrations

Patel, N. D. ; Kartha, V. B. ; Narasimham, N. A. (1973) Vibrational spectra dihalogenated benzenes. I. In-plane vibrations Journal of Molecular Spectroscopy, 48 (2). pp. 185-201. ISSN 0022-2852

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Infrared and Raman spectra of D4-ortho, meta and para fluorochloro and fluorobromo benzenes are presented and assignments are given. Some of the bands of H4-p-fluorochloro benzene assigned earlier as fundamentals are shown to be due to impurities and alternate assignments are given. The observed frequencies of the H4 and D4 molecules are combined in a normal coordinate analysis to obtain a 33-parameter modified valence force field, for the in-plane vibrations, with an average difference of ±0.8% between observed and calculated frequencies. The normal coordinate analysis shows that many of the previous assignments of the ring modes ν1, ν6, and ν12 for disubstituted benzenes are not very reliablie. Revised assignments with good correlation with the corresponding benzene modes are given.

Item Type:Article
Source:Copyright of this article belongs to Elsevier Science.
ID Code:33292
Deposited On:31 Mar 2011 09:07
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