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2012•Journal of Structural ChemistryRequires access

Hydrogen bond effect on the structure and vibrational spectra of complementary pairs of nucleic acid bases. III. Guanine-cytosine

Г. Н. Тен, S. A. Yakovleva, В. В. Нечаев, В. И. Баранов

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Abstract

Vibrational spectra of the isolated complementary guanine-cytosine pair are calculated at the B3LYP/6-311++G( d,p ) level. The hydrogen bond effect on the structure, frequency positions, and intensities of normal vibrations of the pair are analyzed in comparison with the spectra of isolated guanine and cytosine molecules. Characteristic spectral features of the formation of the complementary guanine-cytosine base pair are revealed.

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Vibrational spectra of the isolated complementary guanine-cytosine pair are calculated at the B3LYP/6-311++G( d,p ) level. The hydrogen bond effect on the structure, frequency positions, and intensities of normal vibrations of the pair are analyzed in comparison with the spectra of isolated guanine and cytosine molecules. Characteristic spectral features of the formation of the complementary guanine-cytosine base pair are revealed.

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Available abstract

Vibrational spectra of the isolated complementary guanine-cytosine pair are calculated at the B3LYP/6-311++G( d,p ) level. The hydrogen bond effect on the structure, frequency positions, and intensities of normal vibrations of the pair are analyzed in comparison with the spectra of isolated guanine and cytosine molecules. Characteristic spectral features of the formation of the complementary guanine-cytosine base pair are revealed.

Key concepts: Guanine, Cytosine, Hydrogen bond, Chemistry, Nucleic acid, Molecule, Crystallography, Spectral line

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