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dc.contributor.authorAlemayehu, Abraham
dc.contributor.authorVazquez-Lima, Hugo
dc.contributor.authorTeat, Simon J.
dc.contributor.authorGhosh, Abhik
dc.date.accessioned2020-03-04T14:01:56Z
dc.date.available2020-03-04T14:01:56Z
dc.date.issued2019-10-18
dc.description.abstractA combination of quantum chemical calculations and synthetic studies was used to address the possibility of very high (>6) valence states of transition metals in porphyrin‐type complexes. With corrole as a supporting ligand, DFT calculations ruled out Re(VII) and Ir(VII) dioxo complexes as stable species. Attempted rhenium insertion into benzocarbaporphyrin (BCP) ligands on the other hand led to two products with different stoichiometries – Re[BCP]O and Re[BCP]O<sub>2</sub>. To our surprise, single‐crystal structure determination of one of the complexes of the latter type indicated an Re<sup>V</sup>O center with a second oxygen bridging the Re−C bond. In other words, although the monooxo complexes Re[BCP]O are oxophilic, the BCP ligand cannot sustain a <i>trans</i>‐Re<sup>VII</sup>(O)<sub>2</sub> center. The search for metal valence states >6 in porphyrin‐type ligand environments must therefore continue.en_US
dc.identifier.citationAlemayehu A, Vazquez-Lima H, Teat SJ, Ghosh A. Unexpected Molecular Structure of a Putative Rhenium-Dioxo-Benzocarbaporphyrin Complex. Implications for the Highest Transition Metal Valence in a Porphyrin-Type Ligand Environment. ChemistryOpen. 2019;8(10):1298-1302en_US
dc.identifier.cristinIDFRIDAID 1751836
dc.identifier.doi10.1002/open.201900271
dc.identifier.issn2191-1363
dc.identifier.urihttps://hdl.handle.net/10037/17619
dc.language.isoengen_US
dc.publisherWiley Open Accessen_US
dc.relation.journalChemistryOpen
dc.relation.projectIDinfo:eu-repo/grantAgreement/RCN/?/?/Norway/?/?/en_US
dc.rights.accessRightsopenAccessen_US
dc.rights.holderCopyright 2019 The Author(s)en_US
dc.subjectVDP::Mathematics and natural science: 400::Chemistry: 440en_US
dc.subjectVDP::Matematikk og Naturvitenskap: 400::Kjemi: 440en_US
dc.titleUnexpected Molecular Structure of a Putative Rhenium-Dioxo-Benzocarbaporphyrin Complex. Implications for the Highest Transition Metal Valence in a Porphyrin-Type Ligand Environmenten_US
dc.type.versionpublishedVersionen_US
dc.typeJournal articleen_US
dc.typeTidsskriftartikkelen_US
dc.typePeer revieweden_US


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