Covalency-Driven Preservation of Local Charge Densities in a Metal-to-Ligand Charge-Transfer Excited Iron Photosensitizer
dc.bibliographicCitation.firstPage | 10742 | eng |
dc.bibliographicCitation.issue | 31 | eng |
dc.bibliographicCitation.journalTitle | Angewandte Chemie : International edition | eng |
dc.bibliographicCitation.lastPage | 10746 | eng |
dc.bibliographicCitation.volume | 58 | eng |
dc.contributor.author | Jay, Raphael M. | |
dc.contributor.author | Eckert, Sebastian | |
dc.contributor.author | Vaz da Cruz, Vinicius | |
dc.contributor.author | Fondell, Mattis | |
dc.contributor.author | Mitzner, Rolf | |
dc.contributor.author | Föhlisch, Alexander | |
dc.date.accessioned | 2021-09-16T11:42:15Z | |
dc.date.available | 2021-09-16T11:42:15Z | |
dc.date.issued | 2019 | |
dc.description.abstract | Covalency is found to even out charge separation after photo-oxidation of the metal center in the metal-to-ligand charge-transfer state of an iron photosensitizer. The σ-donation ability of the ligands compensates for the loss of iron 3d electronic charge, thereby upholding the initial metal charge density and preserving the local noble-gas configuration. These findings are enabled through element-specific and orbital-selective time-resolved X-ray absorption spectroscopy at the iron L-edge. Thus, valence orbital populations around the central metal are directly accessible. In conjunction with density functional theory we conclude that the picture of a localized charge-separation is inadequate. However, the unpaired spin density provides a suitable representation of the electron–hole pair associated with the electron-transfer process. © 2019 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. | eng |
dc.description.version | publishedVersion | eng |
dc.identifier.uri | https://oa.tib.eu/renate/handle/123456789/6837 | |
dc.identifier.uri | https://doi.org/10.34657/5884 | |
dc.language.iso | eng | eng |
dc.publisher | Weinheim : Wiley-VCH | eng |
dc.relation.doi | https://doi.org/10.1002/anie.201904761 | |
dc.relation.essn | 1521-3773 | |
dc.relation.issn | 0570-0833 | |
dc.relation.issn | 1433-7851 | |
dc.rights.license | CC BY-NC 4.0 Unported | eng |
dc.rights.uri | https://creativecommons.org/licenses/by-nc/4.0/ | eng |
dc.subject.ddc | 540 | eng |
dc.subject.other | charge-transfer | eng |
dc.subject.other | density functional calculations | eng |
dc.subject.other | iron | eng |
dc.subject.other | photochemistry | eng |
dc.subject.other | X-ray absorption spectroscopy | eng |
dc.title | Covalency-Driven Preservation of Local Charge Densities in a Metal-to-Ligand Charge-Transfer Excited Iron Photosensitizer | eng |
dc.type | Article | eng |
dc.type | Text | eng |
tib.accessRights | openAccess | eng |
wgl.contributor | MBI | eng |
wgl.subject | Chemie | eng |
wgl.type | Zeitschriftenartikel | eng |
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