Quantum-Mechanical Calculations of the Intensity Distribution in Spectra of Adenine Tautomers: I. Spectra of Resonant Hyper-Raman Scattering

摘要

The spectra of resonant hyper-Raman scattering of five tautomeric forms of adenine have been theoretically determined for the first time based on quantum-mechanical calculations in the Herzberg-Teller approximation. The occurrence of three structures, Ade-N_(9),N_(1)H~(+), Ade-N_(9)H(am), and Ade-N_(7)H(am), in an aqueous solution of adenine has been established.