VIBRATIONAL-SPECTRA OF BENZONITRILE-P-D AND BENZONITRILE-D5 AND FORCE-FIELD OF BENZONITRILE

The i.r. and the Raman spectra of benzonitrile-p-d have been recorded and twenty-three of the fundamental vibrations of benzonitrile-p-d and five of those of benzonitrile-d5 have been reassigned. A normal coordinate analysis for benzonitrile and its p-d and d5 derivatives has been carried out. By using a set of valence type force constants, a good fit between the observed and the calculated frequencies has been obtained. © 1979.