Gutenberg Open Science: Pseudo-octahedral iron(II) complexes with near-degenerate charge transfer and ligand field states at the Franck-Condon geometry

Please use this identifier to cite or link to this item: http://doi.org/10.25358/openscience-8702

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DC Field	Value	Language
dc.contributor.author	Moll, Johannes	-
dc.contributor.author	Naumann, Robert	-
dc.contributor.author	Sorge, Lukas	-
dc.contributor.author	Förster, Christoph	-
dc.contributor.author	Gessner, Niklas	-
dc.contributor.author	Burkhardt, Lukas	-
dc.contributor.author	Ugur, Naz	-
dc.contributor.author	Nuernberger, Patrick	-
dc.contributor.author	Seidel, Wolfram	-
dc.contributor.author	Ramanan, Charusheela	-
dc.contributor.author	Bauer, Matthias	-
dc.contributor.author	Heinze, Katja	-
dc.date.accessioned	2023-01-30T07:59:23Z	-
dc.date.available	2023-01-30T07:59:23Z	-
dc.date.issued	2022	-
dc.identifier.uri	https://openscience.ub.uni-mainz.de/handle/20.500.12030/8718	-
dc.description.abstract	Increasing the metal-to-ligand charge transfer (MLCT) excited state lifetime of polypyridine iron(II) complexes can be achieved by lowering the ligand's π* orbital energy and by increasing the ligand field splitting. In the homo- and heteroleptic complexes [Fe(cpmp)2]2+ (12+) and [Fe(cpmp)(ddpd)]2+ (22+) with the tridentate ligands 6,2’’-carboxypyridyl-2,2’-methylamine-pyridyl-pyridine (cpmp) and N,N’-dimethyl-N,N’-di-pyridin-2-ylpyridine-2,6-diamine (ddpd) two or one dipyridyl ketone moieties provide low energy π* acceptor orbitals. A good metal-ligand orbital overlap to increase the ligand field splitting is achieved by optimizing the octahedricity through CO and NMe units between the coordinating pyridines which enable the formation of six-membered chelate rings. The push-pull ligand cpmp provides intra-ligand and ligand-to-ligand charge transfer (ILCT, LL'CT) excited states in addition to MLCT excited states. Ground and excited state properties of 12+ and 22+ were accessed by X-ray diffraction analyses, resonance Raman spectroscopy, (spectro)electrochemistry, EPR spectroscopy, X-ray emission spectroscopy, static and time-resolved IR and UV/Vis/NIR absorption spectroscopy as well as quantum chemical calculations.	en_GB
dc.description.sponsorship	Gefördert durch die Deutsche Forschungsgemeinschaft (DFG) - Projektnummer 491381577	de
dc.language.iso	eng	de
dc.rights	CC BY-NC	*
dc.rights.uri	https://creativecommons.org/licenses/by-nc/4.0/	*
dc.subject.ddc	540 Chemie	de_DE
dc.subject.ddc	540 Chemistry and allied sciences	en_GB
dc.title	Pseudo-octahedral iron(II) complexes with near-degenerate charge transfer and ligand field states at the Franck-Condon geometry	en_GB
dc.type	Zeitschriftenaufsatz	de
dc.identifier.doi	http://doi.org/10.25358/openscience-8702	-
jgu.type.dinitype	article	en_GB
jgu.type.version	Published version	de
jgu.type.resource	Text	de
jgu.organisation.department	FB 09 Chemie, Pharmazie u. Geowissensch.	de
jgu.organisation.number	7950	-
jgu.organisation.name	Johannes Gutenberg-Universität Mainz	-
jgu.rights.accessrights	openAccess	-
jgu.journal.title	Chemistry - a European journal	de
jgu.journal.volume	28	de
jgu.journal.issue	57	de
jgu.pages.alternative	e202201858	de
jgu.publisher.year	2022	-
jgu.publisher.name	Wiley-VCH	de
jgu.publisher.place	Weinheim	-
jgu.publisher.issn	1521-3765	de
jgu.organisation.place	Mainz	-
jgu.subject.ddccode	540	de
jgu.publisher.doi	10.1002/chem.202201858	de
jgu.organisation.ror	https://ror.org/023b0x485	-
jgu.subject.dfg	Naturwissenschaften	de
Appears in collections:	DFG-491381577-H

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