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

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 nonio...

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Bibliographic Details
Published in:	Russian Journal of Physical Chemistry A Vol. 88; no. 12; pp. 2068 - 2072
Main Authors:	Terent’ev, A. O., Borisova, N. S., Khamitov, E. M., Zimin, Yu. S., Mustafin, A. G.
Format:	Journal Article
Language:	English
Published:	Moscow Pleiades Publishing 2014
Subjects:	Chemical Kinetics and Catalysis Chemistry Chemistry and Materials Science Physical Chemistry quantum-chemical calculations fumaric acid 6-methyluracil spectroscopy thermodynamic parameters succinic acid complexes
Online Access:	Get full text
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Summary:	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.
ISSN:	0036-0244 1531-863X
DOI:	10.1134/S003602441412036X