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 73 条
[1]  
Stewart R.F.(1967)undefined Acta Crystallogr. 23 1102-undefined
[2]  
Jensen L.H(1969)undefined Acta Crystallogr., Sect. B 25 1038-undefined
[3]  
Ozeki K.(1988)undefined Acta Crystallogr., Sect. A 44 417-undefined
[4]  
Sakaba N.(1999)undefined Acta Chem. Scand. 53 57-undefined
[5]  
Tanaka J.(1993)undefined Zh. Fiz. Khim. 12 2464-undefined
[6]  
Reck G.(1986)undefined J. Mol. Struct. 140 71-undefined
[7]  
Kretschmer R.-G.(1988)undefined J. Am. Chem. Soc. 110 2329-undefined
[8]  
Kutschabsky L.(1965)undefined J. Am. Chem. Soc. 87 4569-undefined
[9]  
Pritzkow W.(2002)undefined J. Phys. Chem. A 106 8642-undefined
[10]  
Portalone G.(2000)undefined J. Phys. Chem. A 104 3852-undefined
12345678