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dc.contributor.authorChiyindiko, Emmie
dc.contributor.authorLangner, Ernst H.G.
dc.contributor.authorConradie, Jeanet
dc.date.accessioned2024-04-08T08:46:59Z
dc.date.available2024-04-08T08:46:59Z
dc.date.issued2023-02-17
dc.description.abstractThe synthesis, identification and electrochemical behaviour iron(III) complexes containing different 2-hydroxybenzophenone ligands are reported. The first reduction of the tris(2-hydroxybenzophenone)iron(III) complexes follow the same trend as that of the free, uncoordinated ligands and bis(2-hydroxybenzophenone)copper(II) complexes. The first reduction of the iron(III) complexes occur at a potential ca 1 V more positive than the reduction of the free ligands, but within 0.06 V of the reduction of bis(2-hydroxybenzophenone)copper(II) complexes. DFT calculations showed that [Fe(HBP)3] (where HBP = 2-hydroxybenzophenone) is high-spin. Calculations further showed that tris(2-hydroxybenzophenone)iron(III) complexes can exist as both the fac and mer isomers. DFT calculations further showed that the first reduction of the tris(2-hydroxybenzophenone)iron(III) complexes is iron based, while further reductions are ligand based.en_US
dc.identifier.citationChiyindiko, Langner, Conradie. DFT and electrochemical study on some iron(III) complexes with 2-hydroxybenzophenones. Inorganica Chimica Acta. 2023;550en_US
dc.identifier.cristinIDFRIDAID 2132095
dc.identifier.doi10.1016/j.ica.2023.121445
dc.identifier.issn0020-1693
dc.identifier.issn1873-3255
dc.identifier.urihttps://hdl.handle.net/10037/33341
dc.language.isoengen_US
dc.publisherElsevieren_US
dc.relation.journalInorganica Chimica Acta
dc.relation.urihttps://doi.org/10.1016/j.ica.2023.121445
dc.rights.accessRightsopenAccessen_US
dc.rights.holderCopyright 2023 The Author(s)en_US
dc.titleDFT and electrochemical study on some iron(III) complexes with 2-hydroxybenzophenonesen_US
dc.type.versionacceptedVersionen_US
dc.typeJournal articleen_US
dc.typeTidsskriftartikkelen_US
dc.typePeer revieweden_US


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