Synthesis, characterization and catecholase-like activity of new Schiff base metal complexes derived from visnagin: Theoretical and experimental study

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dc.authoridBeyazit, Neslihan/0000-0002-5722-2400
dc.authoridDEMETGUL, CAHIT/0000-0003-1559-7279
dc.authoridBAYRAKTAR, SAHIN/0000-0002-6333-4396
dc.contributor.authorBeyazit, Neslihan
dc.contributor.authorCatikkas, Berna
dc.contributor.authorBayraktar, Sahin
dc.contributor.authorDemetgul, Cahit
dc.date.accessioned2024-09-18T21:00:35Z
dc.date.available2024-09-18T21:00:35Z
dc.date.issued2016
dc.departmentHatay Mustafa Kemal Üniversitesien_US
dc.description.abstractA new tetradentate, unsymmetrical Schiff base ligand (H2L) containing a donor set of N2O2 and its mononuclear Cu(II) and Fe(II) complexes ([CuL] and [FeL]), were synthesized and characterized on the basis of their elemental analysis, FT-IR, Raman, H-1 and C-13 NMR spectra, electronic and mass spectra, molar conductivity and magnetic susceptibility measurements. Density functional theory (DFT) calculations were performed in order to clarify molecular structures, 1H NMR and 13C NMR chemical shift values, frontier molecular orbitals (FMOs), nonlinear optical properties and map of molecular electrostatic potential (MEP) of the title molecules. In agreement with trials, the results provide a full explanation of the highest efficiency observed for the compounds in relation to the electronic and the structural characteristics. The catecholase-like activity of the complexes toward the oxidation of 3,5-ditert-butylcatechol (3,5-DTBC) to the corresponding quinone showed that both complexes have moderate catalytic activity. [FeL] shows higher activity (k(cat) = 26.4 h(-1)) than that of [CuL] (k(cat) = 23.4 h(-1)). (c) 2016 Elsevier B.V. All rights reserved.en_US
dc.description.sponsorshipScientific and Technological Research Council of Turkey [113Z604]en_US
dc.description.sponsorshipThis research was supported by The Scientific and Technological Research Council of Turkey (Project No: 113Z604).en_US
dc.identifier.doi10.1016/j.molstruc.2016.04.047
dc.identifier.endpage132en_US
dc.identifier.issn0022-2860
dc.identifier.issn1872-8014
dc.identifier.scopus2-s2.0-84964462224en_US
dc.identifier.scopusqualityQ1en_US
dc.identifier.startpage124en_US
dc.identifier.urihttps://doi.org/10.1016/j.molstruc.2016.04.047
dc.identifier.urihttps://hdl.handle.net/20.500.12483/12774
dc.identifier.volume1119en_US
dc.identifier.wosWOS:000378360000015en_US
dc.identifier.wosqualityQ3en_US
dc.indekslendigikaynakWeb of Scienceen_US
dc.indekslendigikaynakScopusen_US
dc.language.isoenen_US
dc.publisherElsevieren_US
dc.relation.ispartofJournal of Molecular Structureen_US
dc.relation.publicationcategoryMakale - Uluslararası Hakemli Dergi - Kurum Öğretim Elemanıen_US
dc.rightsinfo:eu-repo/semantics/closedAccessen_US
dc.subjectVisnaginen_US
dc.subjectSchiff baseen_US
dc.subjectMetal complexesen_US
dc.subjectCatecholase-like activityen_US
dc.subjectMichaelis Menten kineticsen_US
dc.subjectDensity functional theory (DFT)en_US
dc.titleSynthesis, characterization and catecholase-like activity of new Schiff base metal complexes derived from visnagin: Theoretical and experimental studyen_US
dc.typeArticleen_US

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