HYDROGEN BONDING EFFECT ON THE STRUCTURE AND VIBRATIONAL SPECTRA OF COMPLEMENTARY PAIRS OF NUCLEIC ACID BASES. I. ADENINE-URACIL
G. N. Ten, V. V. Nechaev, A. N. Pankratov, V. I. Baranov
Keywords: adenine, uracil, complementary pair, vibrational spectra, hydrogen bonding, interpretation
Pages: 474-482
Abstract
Vibrational spectra of the adenine-uracil complementary pair of nucleic acid bases (NAB) in the isolated state are calculated in the B3LYP/6-311++G(d,p) approximation and analyzed. The hydrogen bonding effect on frequency positions and intensities of normal vibrations of NAB pairs is shown in comparison with isolated uracil and adenine molecules.
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