Quantum-chemical calculations of the tautomeric forms of 3-phenylazopentane-2,4-dione and the thermodynamic parameters of complexation between its isomers and some metals in aqueous ethanol

Quantum-chemical calculations of the tautomeric forms of 3-phenylazopentane-2,4-dione and the... MO LCAO calculations in the Hückel approximation of the tautomeric (azo enol, oxo azo, and hydrazo) forms of 3-phenylazopentane-2,4-dione (L) revealed that the oxo azo tautomer is most reactive. The effective charges at the atoms of all the tautomers were calculated. Complexation between some metals and L in aqueous ethanol was studied by potentiometric and conductometric titration. The potentiometric data were used to calculate the standard thermodynamic functions of the complexation. http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Russian Journal of Coordination Chemistry Springer Journals

Quantum-chemical calculations of the tautomeric forms of 3-phenylazopentane-2,4-dione and the thermodynamic parameters of complexation between its isomers and some metals in aqueous ethanol

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Publisher
Nauka/Interperiodica
Copyright
Copyright © 2006 by Pleiades Publishing, Inc.
Subject
Chemistry; Inorganic Chemistry; Physical Chemistry
ISSN
1070-3284
eISSN
1608-3318
D.O.I.
10.1134/S1070328406040129
Publisher site
See Article on Publisher Site

Abstract

MO LCAO calculations in the Hückel approximation of the tautomeric (azo enol, oxo azo, and hydrazo) forms of 3-phenylazopentane-2,4-dione (L) revealed that the oxo azo tautomer is most reactive. The effective charges at the atoms of all the tautomers were calculated. Complexation between some metals and L in aqueous ethanol was studied by potentiometric and conductometric titration. The potentiometric data were used to calculate the standard thermodynamic functions of the complexation.

Journal

Russian Journal of Coordination ChemistrySpringer Journals

Published: Apr 6, 2006

References

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