Investigation of the tautomerism of nucleic acid bases by electronic-vibrational spectroscopy

Abstract

Some problems on the tautomerism of nucleic acid bases have been studied by theoretical vibronic spectroscopy. Structural-dynamic models of molecules in excited states have been constructed. Based on the analysis of the change in the geometry of a pair of nucleic bases (adenine-thymine) upon electronic excitation, one possible reason for the formation of rare tautomeric forms is considered. The vibrational structure of the absorption spectra of purine and adenine tautomers has been calculated. The possibility of identifying the tautomeric forms of purine and adenine for different phase states with the aid of electronic-vibrational spectra is shown.