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.

引用

页码：453 / 462

页数：10

共 41 条

[1] NUCLEIC-ACID BASES STUDIED BY MATRIX-ISOLATION VIBRATIONAL SPECTROSCOPY - URACIL AND DEUTERATED URACILS [J].