Quantum-Mechanical Calculation of the Relative Line Intensities in Resonance Raman Spectra of Adenine-Thymine and Adenine-Uracil Molecular Base Pairs

摘要

A quantum-mechanical method of calculation of the relative line intensities in the resonance Raman spectra of polyatomic molecules in the Herzberg-Teller approximation is applied for the first time to the description of the spectra of adenine-thymine and adenine-uracil molecular base pairs. The intensity distribution in the resonance Raman (RR) spectra of these pairs excited by laser radiation at 266, 240, 218, and 200 nm is calculated. Satisfactory agreement with the available experimental data is obtained. The basic features of the intensity distribution are discussed and are theoretically substantiated.