Transferable valence force fields for substituted benzenes Part IV. Dinitrobenzenes

A zero-order normal coordinate analysis of both the in-plane and out-of-plane vibrations was made for p-, m- and o-dinitrobenzenes, 1-fluoro-, 1-chloro- and 1-bromo-2,4-dinitrobenzenes, transferring the force constants from our earlier work. The observed and calculated frequencies agree with an aver...

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Bibliographic Details
Published in:Vibrational spectroscopy 1995, Vol.8 (3), p.343-356
Main Authors: Suryanarayana, V., Ramana Rao, G.
Format: Article
Language:English
Subjects:
Dinitrobenzenes
Infrared spectrometry
Normal coordinate analysis
Raman spectrometry
Valence force fields
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Summary:A zero-order normal coordinate analysis of both the in-plane and out-of-plane vibrations was made for p-, m- and o-dinitrobenzenes, 1-fluoro-, 1-chloro- and 1-bromo-2,4-dinitrobenzenes, transferring the force constants from our earlier work. The observed and calculated frequencies agree with an average error of 15.6 cm −1, demonstrating the transferability of the force constants obtained previously. On the basis of calculated potential energy distributions and eigenvectors, several assignments suggested by earlier workers have been revised.
ISSN:0924-2031
1873-3697
DOI:10.1016/0924-2031(94)00060-T