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
收藏
页码：1926 / 1935
页数：9
相关论文
共 50 条
12345