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Title: Potent 1,2,4-Triazole-3-thione Radical Scavengers Derived from Phenolic Acids: Synthesis, Electrochemistry, and Theoretical Study
Authors: Ivanovic, Nenad
Jovanović, Ljiljana
Marković, Zoran
Marković, Violeta
Joksović, Milan
Milenkovic, Dejan
Djurdjevic, Predrag
Ciric, Andrija
Joksović, Ljubinka
Journal: ChemistrySelect
Issue Date: 16-Aug-2016
Abstract: © 2016 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim Nine 1,2,4-triazole-3-thiones containing phenolic acid moiety have been synthesized and examined by scavenging of stable DPPH (2,2-diphenyl-1-picrylhydrazyl) radical, measurement of reducing capacity, cyclic voltammetry experiments and density functional theory (DFT). The differences in DPPH-radical scavenging activity of the compounds 4 a-i are affected by the stability of the corresponding radicals or radical cations and possibility of delocalization of unpaired electron through benzene and triazole ring. Significantly, lower proton affinity (PA) values than bond dissociation enthalpy (BDE) indicate SPLET (sequential proton loss electron transfer) mechanism under these experimental conditions.
Type: article
DOI: 10.1002/slct.201600738
SCOPUS: 85010327021
Appears in Collections:Faculty of Science, Kragujevac
Institute for Information Technologies, Kragujevac

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