Quantum-chemical study, IR spectra, and intramolecular hydrogen bonds in dimeric 5- and 6-methyluracils

被引：0

作者：

V. A. Naumov

M. A. Tafipol’skii

V. S. Reznik

机构：

[1] Russian Academy of Sciences,Arbuzov Institute of Organic and Physical Chemistry, Kazan Research Center

[2] University of Augsburg,undefined

来源：

Russian Journal of General Chemistry | 2004年 / 74卷

关键词：

Hydrogen; Hydrogen Bond; Comparative Analysis; Adenine; Force Constant;

D O I：

暂无

中图分类号：

学科分类号：

摘要：

Comparative analysis of the geometry, atomic charges, force constants, and IR spectra of crystals of isomeric 5- and 6-methyluracils was performed by quantum-chemical methods. Dimeric and trimeric associates of C-methyluracil molecules and their dimers with adenine were calculated in order to estimate the energies of intramolecular hydrogen bonds. Thymine in DNA is impossible to replace by 6-methyluracillargely by steric reasons.

引用

页码：1926 / 1935

页数：9

共 6 条

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[6] Gas phase FT-IR spectra and structure of aminoalcohols with intramolecular hydrogen bonds I.: The shape of the v(OH) vibrational bands in R2NC3H6OH (R = H, CH3)
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