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dc.creatorStevic, Milica C.
dc.creatorĆirić-Marjanović, Gordana
dc.creatorMarjanovic, Budimir
dc.creatorIgnjatovic, Ljubisa M.
dc.creatorManojlović, Dragan D.
dc.date.accessioned2018-11-22T00:22:01Z
dc.date.available2018-11-22T00:22:01Z
dc.date.issued2012
dc.identifier.issn0013-4651
dc.identifier.urihttp://cherry.chem.bg.ac.rs/handle/123456789/1534
dc.description.abstractThe theoretical study of the 6-aminoquinoline (6-QNH(2)) electrochemical oxidation mechanism, based on the semi-empirical quantum chemical computations of the heat of formation, ionization energy, and spin density of reaction intermediates, taking into account the influence of pH and solvation effects, has been conducted. Two possible 6-QNH(2) electro-oxidation pathways are investigated, namely, the initial single-electron oxidation of 6-QNH(2) at lower electrode potentials, leading to the formation of cation radicals [6-QNH(2)](center dot+) in acidic solutions and neutral radicals [6-QNH](center dot) in alkaline solutions, as well as the two-electron oxidation of 6-QNH(2) leading to the initial formation of nitrenium cations [6-QNH](+) at higher electrode potentials. The regioselectivity of 6-QNH(2) dimerization reactions, which follow both the single- and two-electron transfer reactions, is computationally studied. Cyclic voltammetry experiments, conducted at a glassy carbon paste electrode in Britton-Robinson buffer/methanol media, are correlated with the computationally predicted 6-QNH(2) electro-oxidation mechanism. Differential pulse voltammetric and adsorptive stripping differential pulse voltammetric analyses of 6-QNH(2) oxidation have also been performed. (C) 2012 The Electrochemical Society. [DOI: 10.1149/2.004212jes] All rights reserved.en
dc.publisherElectrochemical Soc Inc, Pennington
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172030/RS//
dc.relationinfo:eu-repo/grantAgreement/MESTD/Basic Research (BR or ON)/172043/RS//
dc.rightsrestrictedAccess
dc.sourceJournal of the Electrochemical Society
dc.titleThe Electrochemical Oxidation of 6-Aminoquinoline: Computational and Voltammetric Studyen
dc.typearticle
dc.rights.licenseARR
dcterms.abstractМарјановиц, Будимир; Игњатовиц, Љубиса М.; Цириц-Марјановиц, Гордана; Стевиц, Милица Ц.; Манојловић, Драган;
dc.citation.volume159
dc.citation.issue11
dc.identifier.wos000309107200078
dc.identifier.doi10.1149/2.004212jes
dc.citation.other159(11): G151-G159
dc.citation.rankaM21
dc.identifier.scopus2-s2.0-84875618449
dc.identifier.rcubKon_2365


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