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  • Vibrational analysis of substituted benzonitriles. IV. Transferability of force constants--the case of some aminobenzonitriles.

Vibrational analysis of substituted benzonitriles. IV. Transferability of force constants--the case of some aminobenzonitriles.

Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy (1998-01-23)
A P Kumar, G R Rao
RESUMO

A zero-order normal coordinate analysis was made for the n-plane vibrations of p-, m- and o-aminobenzonitrile and 2-chloro, 5-aminobenzonitrile by transferring the force constants from our earlier work. The observed and calculated frequencies agree with an average error of 19.3 cm-1. Unambiguous vibrational assignments of in-plane fundamentals of the four molecules have been made, and several assignments suggested by earlier workers have been revised.

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4-Aminobenzonitrile, 98%