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Luminescent Zirconocene Complexes with Pendant Phosphine Chalcogenide Donor Groups

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    SYSNO ASEP0571054
    Document TypeJ - Journal Article
    R&D Document TypeJournal Article
    Subsidiary JČlánek ve WOS
    TitleLuminescent 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, SAI
    Source TitleOrganometallics. - : American Chemical Society - ISSN 0276-7333
    Roč. 42, č. 12 (2023), s. 1373-1385
    Number of pages13 s.
    Languageeng - English
    CountryUS - United States
    Keywordszirconocene complexes ; ligand to metal charge transfer ; luminiscence
    Subject RIVCF - Physical ; Theoretical Chemistry
    OECD categoryPhysical chemistry
    R&D ProjectsGA19-00204S GA ČR - Czech Science Foundation (CSF)
    Method of publishingOpen access
    Institutional supportUFCH-W - RVO:61388955 ; UACH-T - RVO:61388980
    UT WOS000967806100001
    EID SCOPUS85152149864
    DOI https://doi.org/10.1021/acs.organomet.3c00082
    AnnotationNeutral 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.
    WorkplaceJ. Heyrovsky Institute of Physical Chemistry
    ContactMichaela Knapová, michaela.knapova@jh-inst.cas.cz, Tel.: 266 053 196
    Year of Publishing2024
    Electronic addresshttps://hdl.handle.net/11104/0342364
Number of the records: 1  

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