For citation:
Monakhova Y. B., Mushtakova S. P., Chernozubova E. V. A Quantum Chemical and Chemometrics Study of the Process of Aromatic Amines Oxidation in Alkaline Medium. Izvestiya of Saratov University. Chemistry. Biology. Ecology, 2009, vol. 9, iss. 2, pp. 21-27. DOI: 10.18500/1816-9775-2009-9-2-21-27
This is an open access article distributed under the terms of Creative Commons Attribution 4.0 International License (CC-BY 4.0).
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Russian
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Article
UDC:
544.18: 542.943: 547.551.2
A Quantum Chemical and Chemometrics Study of the Process of Aromatic Amines Oxidation in Alkaline Medium
Autors:
Monakhova Yu. B., Saratov State University
Mushtakova Svetlana Petrovna, Saratov State University
Chernozubova Ekaterina Viktorovna, Saratov State University
Abstract:
The process of the oxidation of DFA reagents in alkaline media was simulated by means of quantum-chemistry methods and chemometrics. Geometric and electronic characteristics of initial amines, intermediates and final products were calculated. Acquired data confirm and supplement known information about mechanism of aromatic amines oxidation in alkaline media.
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Reference:
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Received:
20.11.2008
Accepted:
20.04.2009
Published:
20.06.2009
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