dc.contributor.author | Ghosh, Abhik | |
dc.date.accessioned | 2021-11-30T12:26:37Z | |
dc.date.available | 2021-11-30T12:26:37Z | |
dc.date.issued | 2021-10-07 | |
dc.description.abstract | Extensive 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.citation | Ghosh. Heavy-element–ligand covalence: ligand noninnocence in molybdenum and tungsten Viking-helmet Corroles. Dalton Transactions. 2021 | en_US |
dc.identifier.cristinID | FRIDAID 1943981 | |
dc.identifier.doi | 10.1039/D1DT01970H | |
dc.identifier.issn | 1477-9226 | |
dc.identifier.issn | 1477-9234 | |
dc.identifier.uri | https://hdl.handle.net/10037/23223 | |
dc.language.iso | eng | en_US |
dc.publisher | Royal Society of Chemistry | en_US |
dc.relation.journal | Dalton Transactions | |
dc.relation.projectID | info:eu-repo/grantAgreement/RCN/NANO2021/262229/Norway/Metallocorroles for photodynamic therapy and bioimaging// | en_US |
dc.rights.accessRights | openAccess | en_US |
dc.rights.holder | Copyright 2021 The Author(s) | en_US |
dc.subject | VDP::Mathematics and natural science: 400::Chemistry: 440 | en_US |
dc.subject | VDP::Matematikk og Naturvitenskap: 400::Kjemi: 440 | en_US |
dc.title | Heavy-element–ligand covalence: ligand noninnocence in molybdenum and tungsten Viking-helmet Corroles | en_US |
dc.type.version | publishedVersion | en_US |
dc.type | Journal article | en_US |
dc.type | Tidsskriftartikkel | en_US |
dc.type | Peer reviewed | en_US |