Quantum-mechanical analysis of resonance Raman scattering spectra of the uracil molecule

A direct quantum-mechanical calculation of the relative intensities of lines in the resonance Raman scattering (RRS) spectra of uracil is performed by a method developed earlier by the authors on the basis of the adiabatic model in the Herzberg-Teller approximation [1]. It is shown that the main regularities in the intensity distribution of spectra can be explained only by taking into account the vibronic mixing of electronic states and the contribution to the scattering tensor components from the excited electronic states adjacent to the resonance state. The calculated results are in satisfactory agreement with the results of experimental studies of the RRS spectra of uracil excited by laser radiation at 266, 240, 218, and 200 nm. (C) 2000 MAIK "Nauka/Interperiodica".