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dc.contributor.authorMateyise, Nandisiwe Ghandi Sibongile
dc.contributor.authorConradie, Marrigje M.
dc.contributor.authorConradie, Jeanet
dc.date.accessioned2022-12-19T13:36:46Z
dc.date.available2022-12-19T13:36:46Z
dc.date.issued2022-11-17
dc.description.abstractThe cyclic voltammograms of a series of substituted terpyridine ligands are presented, showing that reduction occur generally below −2 V versus the redox potential of ferrocene. Density functional theory (DFT) calculated energies and the theoretically calculated reduction potentials of a large series of substituted oligo(aza)pyridine ligands (terpyridine, bipyridine and phenanthroline) are determined and related to experimentally measured reduction potentials. A linear relationship is observed for the reduction potential of tpy ligands and the sum of the Hammett constant of the substituents on the ligands. It was found that the reduction potential of terpyridines relate linearly with various DFT calculated energies. It was further demonstrated that different oligo(aza)pyridines, namely phenanthrolines, bipyridines and the terpyridine ligands of this study, follow the same “reduction potentials – DFT energies” relationships.en_US
dc.identifier.citationMateyise, Conradie, Conradie. DFT studies of the redox behavior of oligo(aza)pyridines and experimental CVs of 4′-substituted terpyridines. Results in Chemistry. 2022;4:1-13en_US
dc.identifier.cristinIDFRIDAID 2090257
dc.identifier.doi10.1016/j.rechem.2022.100667
dc.identifier.issn2211-7156
dc.identifier.urihttps://hdl.handle.net/10037/27859
dc.language.isoengen_US
dc.publisherElsevieren_US
dc.relation.journalResults in Chemistry
dc.rights.accessRightsopenAccessen_US
dc.rights.holderCopyright 2022 The Author(s)en_US
dc.rights.urihttps://creativecommons.org/licenses/by-nc-nd/4.0en_US
dc.rightsAttribution-NonCommercial-NoDerivatives 4.0 International (CC BY-NC-ND 4.0)en_US
dc.titleDFT studies of the redox behavior of oligo(aza)pyridines and experimental CVs of 4′-substituted terpyridinesen_US
dc.type.versionpublishedVersionen_US
dc.typeJournal articleen_US
dc.typeTidsskriftartikkelen_US
dc.typePeer revieweden_US


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