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dc.contributor.authorGhosh, Abhik
dc.date.accessioned2021-11-30T12:26:37Z
dc.date.available2021-11-30T12:26:37Z
dc.date.issued2021-10-07
dc.description.abstractExtensive DFT calculations with several exchange–correlation functionals indicate that molybdenum-dichlorido Viking helmet corroles are noninnocent with significant Mo<sup>IV</sup>-corrole<sup>˙2−</sup> character. The effect is mediated by a Mo(4d)-corrole(π) orbital interaction similar to that postulated for MnCl, FeCl and FeNO corroles. The effect also appears to operate in tungsten-dichlorido corroles but is weaker relative to that for Mo. In contrast, MoO triarylcorroles do not exhibit a significant degree of corrole radical character. Furthermore, the Soret absorption maxima of a series of MoCl<sub>2</sub> tris(para-X-phenyl)corrole derivatives were found to redshift dramatically with increasing electron-donating character of the para substituent X, essentially clinching the case for a noninnocent macrocycle in MoCl<sub>2</sub> corroles.en_US
dc.identifier.citationGhosh. Heavy-element–ligand covalence: ligand noninnocence in molybdenum and tungsten Viking-helmet Corroles. Dalton Transactions. 2021en_US
dc.identifier.cristinIDFRIDAID 1943981
dc.identifier.doi10.1039/D1DT01970H
dc.identifier.issn1477-9226
dc.identifier.issn1477-9234
dc.identifier.urihttps://hdl.handle.net/10037/23223
dc.language.isoengen_US
dc.publisherRoyal Society of Chemistryen_US
dc.relation.journalDalton Transactions
dc.relation.projectIDinfo:eu-repo/grantAgreement/RCN/NANO2021/262229/Norway/Metallocorroles for photodynamic therapy and bioimaging//en_US
dc.rights.accessRightsopenAccessen_US
dc.rights.holderCopyright 2021 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.titleHeavy-element–ligand covalence: ligand noninnocence in molybdenum and tungsten Viking-helmet Corrolesen_US
dc.type.versionpublishedVersionen_US
dc.typeJournal articleen_US
dc.typeTidsskriftartikkelen_US
dc.typePeer revieweden_US


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