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Theoretical analysis of Raman and resonance Raman spectra of simple bases of nucleic acids
Author(s) -
Bourova T.,
Ten G.,
Andreeva S.,
Berezin V.
Publication year - 2000
Publication title -
journal of raman spectroscopy
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.748
H-Index - 110
eISSN - 1097-4555
pISSN - 0377-0486
DOI - 10.1002/1097-4555(200008/09)31:8/9<827::aid-jrs593>3.0.co;2-t
Subject(s) - raman spectroscopy , chemistry , uracil , resonance (particle physics) , spectral line , nucleic acid , valence (chemistry) , excited state , resonance raman spectroscopy , analytical chemistry (journal) , coherent anti stokes raman spectroscopy , molecular physics , raman scattering , computational chemistry , atomic physics , optics , quantum mechanics , organic chemistry , physics , dna , biochemistry
A theoretical analysis of the intensity distribution in Raman and resonance Raman spectra of simple bases of nucleic acids was made. Calculations of wavenumbers and line intensities in the Raman spectra of uracil and its deuterated analogues were carried out using the classical scheme in the valence‐force approximation. In contrast, the intensity distribution in the resonance Raman spectra of uracil excited by laser radiation of wavelength 266 and 240 nm was calculated using a quantum‐mechanical method. In both types of spectra the theoretical data showed good agreement with experimental results. Two types of H‐bonding in uracil were determined and the mechanism of H‐bond formation is discussed. The electronic–vibrational interaction in uracil was shown to be significant. The quantum‐mechanical method using the Herzberg–Teller approximation is suitable for the analysis of the resonance Raman spectra of simple bases of nucleic acids. Copyright © 2000 John Wiley & Sons, Ltd.