Vibrational analysis of substituted benzonitriles .4. Transferability of force constants - the case of some aminobenzonitriles

A zero-order normal coordinate analysis was made for the in-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. (C) 1997 Elsevier Science B.V.