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Luminescent Zirconocene Complexes with Pendant Phosphine Chalcogenide Donor Groups
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SYSNO ASEP 0571054 Document Type J - Journal Article R&D Document Type Journal Article Subsidiary J Článek ve WOS Title Luminescent Zirconocene Complexes with Pendant Phosphine Chalcogenide Donor Groups Author(s) Urbán, Béla (UFCH-W) RID
Dunlop, David (UFCH-W) ORCID
Gyepes, R. (CZ)
Kubát, Pavel (UFCH-W) RID, ORCID, SAI
Lang, Kamil (UACH-T) SAI, RID, ORCID
Horáček, Michal (UFCH-W) RID, ORCID
Pinkas, Jiří (UFCH-W) RID, ORCID
Šimková, Ludmila (UFCH-W) RID, ORCID
Lamač, Martin (UFCH-W) RID, ORCID, SAISource Title Organometallics. - : American Chemical Society - ISSN 0276-7333
Roč. 42, č. 12 (2023), s. 1373-1385Number of pages 13 s. Language eng - English Country US - United States Keywords zirconocene complexes ; ligand to metal charge transfer ; luminiscence Subject RIV CF - Physical ; Theoretical Chemistry OECD category Physical chemistry R&D Projects GA19-00204S GA ČR - Czech Science Foundation (CSF) Method of publishing Open access Institutional support UFCH-W - RVO:61388955 ; UACH-T - RVO:61388980 UT WOS 000967806100001 EID SCOPUS 85152149864 DOI https://doi.org/10.1021/acs.organomet.3c00082 Annotation Neutral zirconocene complexes of the type [(η5-C5Me5){η5-C5H4CMe2P(═E)Ph2}ZrCl2] (E = not present, O, S, or Se) with a cyclopentadienyl-attached phosphine and related phosphine oxide, sulfide, or selenide moiety were prepared and converted to their cationic counterparts by chloride abstraction with K[B(C6F5)4] to give compounds of the general formula [(η5-C5Me5){η5-C5H4CMe2P(═E)Ph2-κE}ZrCl]+[B(C6F5)4]−. Alternatively, the chloride abstraction was accomplished by the reaction with ZnCl2 to give the same cationic species with a [Zn2Cl6]2– counteranion. The ionic complexes, unlike the neutral counterparts, exhibited strongly enhanced luminescence properties originating in triplet ligand-to-metal (3LMCT) excited states. Luminescence quantum yields up to 0.95 were determined in the solid state with luminescence lifetimes up to 50.6 μs. In addition to structural characterization of the prepared complexes by X-ray diffraction methods, their electrochemistry was investigated by cyclic voltammetry, and their photophysical properties were studied with quantum-chemical calculations. Workplace J. Heyrovsky Institute of Physical Chemistry Contact Michaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196 Year of Publishing 2024 Electronic address https://hdl.handle.net/11104/0342364
Number of the records: 1