Hydrogen bonding effect on the structure and vibrational spectra of complementary pairs of nucleic acid bases. I. Adenine-uracil

被引：9
|
作者：
Ten, G. N. [1 ]
Nechaev, V. V. [1 ]
Pankratov, A. N. [1 ]
Baranov, V. I. [2 ]
机构：
[1] NG Chernyshevskii Saratov State Univ, Saratov, Russia
[2] Russian Acad Sci, VI Vernadsky Inst Geochem & Analyt Chem, Moscow 117901, Russia
来源：
JOURNAL OF STRUCTURAL CHEMISTRY | 2010年 / 51卷 / 03期
关键词：
adenine; uracil; complementary pair; vibrational spectra; hydrogen bonding; interpretation; EXPERIMENTAL-MATRIX-ISOLATION; INFRARED-SPECTRA; AB-INITIO; MOLECULAR-STRUCTURE; COMPLEXES; THYMINE; PURINE; 2-CHLOROADENINE; CONSTITUENTS; TAUTOMERISM;
D O I：
10.1007/s10947-010-0067-2
中图分类号：
O61 [无机化学];
学科分类号：
070301 ; 081704 ;
摘要：
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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页码：453 / 462
页数：10
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