Quantum-mechanical calculation of the intensity distribution in the resonance raman spectrum of benzonitrile

A direct quantum-mechanical calculation of the resonance Raman spectrum of a benzonitrile molecule upon excitation with laser radiation at a wavelength of 228.7 nm is performed in the Herzberg-Teller approximation with allowance made for the Duschinsky effect. The results of the calculation are in reasonable agreement with the available experimental data. The intensity distribution in the calculated resonance Raman spectrum of the benzonitrile molecule is compared with the intensity distributions in the spectra of benzene, inethyl-substituted benzenes, and halogenated benzenes. It is revealed that the intensity distributions in the reso onance Raman spectra of these compounds are characterized by a number of common features.