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 nu cleic acids, are studied now from experimental and theoretical points of vi ew. In this work classical approach was used to get the relative line inten sities in the Raman spectra of adenine and its deuterated-substituted analo gues. To describe the intensity of distribution in the resonance Raman spec trum (RRS) of adenine, in contrast, the quantum-mechanical method was used. Satisfactory agreement between theoretical and experimental data was achie ved in both cases and the comparable analysis of vibration mode activity wa s made. (C) 1999 Elsevier Science B.V. All rights reserved.