Experimental and quantum-chemical studies of the reactions of 6-methyluracil with succinic and fumaric acids

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• 作者：A. O. Terent’ev (1)
  N. S. Borisova (1)
  E. M. Khamitov (1)
  Yu. S. Zimin (1)
  A. G. Mustafin (1)
  
• 关键词：complexes ; 6 ; methyluracil ; succinic acid ; fumaric acid ; quantum ; chemical calculations ; thermodynamic parameters ; spectroscopy
• 刊名：Russian Journal of Physical Chemistry A, Focus on Chemistry
• 出版年：2014
• 出版时间：December 2014
• 年：2014
• 卷：88
• 期：12
• 页码：2068-2072
• 全文大小：216 KB
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• 作者单位：A. O. Terent’ev (1)
  N. S. Borisova (1)
  E. M. Khamitov (1)
  Yu. S. Zimin (1)
  A. G. Mustafin (1)
  
  1. Bashkortostan State University, Ufa, Bashkortostan, 450074, Russia
  
• ISSN：1531-863X

文摘

Possible structures of 6-methyluracil complexes with succinic and fumaric acids are studied by quantum-chemical means. The possibility of complex formation occurring between 6-methyluracil and the acids in the ionized and nonionized states is evaluated. The form of the complexes containing the nonionized acid is found to dominate. The quantum-chemical calculation data are consistent with the experimental results.