Theoretical analysis of intensity distribution in Raman and resonance Raman spectra of biological molecules

Molecules of biological interest, such as purene and pyrimidine bases of nucleic acids, are studied now from experimental and theoretical points of view. In this work classical approach was used to get the relative line intensities in the Raman spectra of adenine and its deuterated-substituted analogues. To describe the intensity of distribution in the resonance Raman spectrum (RRS) of adenine, in contrast, the quantum-mechanical method was used. Satisfactory agreement between theoretical and experimental data was achieved in both cases and the comparable analysis of vibration mode activity was made. (C) 1999 Elsevier Science B.V. All rights reserved.