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Transferable valence force fields for substituted benzenes Part III. Trisubstituted benzenes

✍ Scribed by B. Venkatram Reddy; G. Ramana Rao

Publisher
Elsevier Science
Year
1994
Tongue
English
Weight
452 KB
Volume
6
Category
Article
ISSN
0924-2031

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✦ Synopsis

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A zero-order normal coordinate analysis was made for both in-plane and out-of-plane vibrations of I-bromo-2,4difluorobenzene, I-bromo-3,4-difluorobenzene, I-bromo-3,5difluorobenzene and 1,3-dichloro-4-fluorobenzene by transferring the force constants from two sources, namely monohalogenated nitrobenzenes (Set I) and dihalogenated benzenes (Set II). The observed and calculated frequencies agree with an average error of 14.7 and 13.5 cm-' using Set I and Set II force constants, respectively. On the basis of the results obtained unambiguous vibrational assignments of all the fundamentals of the four molecules were made. Several assignments suggested by earlier workers have been revised.

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