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dc.contributor.authorMateyise, N.G.S.
dc.contributor.authorConradie, M. M.
dc.contributor.authorConradie, Jeanet
dc.date.accessioned2024-10-08T06:50:03Z
dc.date.available2024-10-08T06:50:03Z
dc.date.issued2024-05-29
dc.description.abstractA series of bis(terpyridine)nickel(II) complexes were synthesized and subjected to electrochemical (cyclic voltammetry) and theoretical (using density function theory, DFT) studies. DFT calculations have confirmed, consistent with existing literature, that the oxidation and reduction reactions of bis(terpyridine)nickel(II) complexes are centered on nickel and the terpyridine ligand, respectively. Upon oxidation of the pseudo-octahedral Ni(II) complex, large changes in Ni-N bonds occur since a Jahn-Teller distorted Ni(III) complex is formed, leading to a quasi-reversible Ni(II/III) oxidation process. Conversely, small geometric changes observed during the reduction of bis(terpyridine)nickel(II) suggest a reversible process, as experimentally observed. The second reduction is quasi-reversible and is attributed to the instability of the neutral bis(terpyridine)nickel complex containing two tpy ligand radicals. The nature of the substituents on the terpyridine ligand, characterized by Hammett constants, influences the redox potentials. These shifts result in linear relationships between the experimental redox potentials and Hammett constants, as well as DFT-calculated potentials, energies and charges associated with the specific redox process.en_US
dc.identifier.citationMateyise, Conradie, Conradie. Electrochemical and theoretical study of nickel(II) containing different 2,2′:6′,2″-terpyridines. Polyhedron. 2024;259en_US
dc.identifier.cristinIDFRIDAID 2276951
dc.identifier.doi10.1016/j.poly.2024.117075
dc.identifier.issn0277-5387
dc.identifier.issn1873-3719
dc.identifier.urihttps://hdl.handle.net/10037/35103
dc.language.isoengen_US
dc.publisherElsevieren_US
dc.relation.journalPolyhedron
dc.rights.accessRightsopenAccessen_US
dc.rights.holderCopyright 2024 The Author(s)en_US
dc.rights.urihttps://creativecommons.org/licenses/by/4.0en_US
dc.rightsAttribution 4.0 International (CC BY 4.0)en_US
dc.titleElectrochemical and theoretical study of nickel(II) containing different 2,2′:6′,2″-terpyridinesen_US
dc.type.versionpublishedVersionen_US
dc.typeJournal articleen_US
dc.typeTidsskriftartikkelen_US
dc.typePeer revieweden_US


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Attribution 4.0 International (CC BY 4.0)
Except where otherwise noted, this item's license is described as Attribution 4.0 International (CC BY 4.0)