Articles producció científica> Química Física i Inorgànica

Arene C(sp2)-H Metalation at NiII Modeled with a Reactive PONCPh Ligand

  • Identification data

    Identifier: PC:1901
    Authors:
    Jorge J. CarboLinda S. JongbloedDiego García-LopezRichard van HeckMaxime A. SieglerJarl Ivar van der Vlugt
    Abstract:
    Filiació URV: SI
  • Others:

    Author, as appears in the article.: Jorge J. Carbo; Linda S. Jongbloed; Diego García-Lopez; Richard van Heck; Maxime A. Siegler; Jarl Ivar van der Vlugt
    Department: Química Física i Inorgànica
    URV's Author/s: CARBÓ MARTIN, JORGE JUAN; Linda S. Jongbloed; Diego García-Lopez; Richard van Heck; Maxime A. Siegler; Jarl Ivar van der Vlugt
    Keywords: Està en blanc
    Abstract: Coordination of the reactive phosphinitopyridylphenyl PONCPh ligand LH to NiBr2 initially yields paramagnetic brown NiBr2(LH) (1), but addition of triethylamine results in fast and facile cyclometalation at NiII, giving NiBr(¿3-P,N,C-L) (2) as well-defined species. This is a rare example of direct cyclometalation at NiII from a C-H bond in a ligand structure other than encumbering ligands (e.g., ECE pincers). Diamagnetic yellow complex 2 reacts instantaneously with HBF4 to give purple [NiBr(¿3-P,N-LH)]BF4 (3). A very unusual (an)agostic Ni(CPh-H) interaction in the solid-state structure of 3 was unequivocally demonstrated using single-crystal X-ray crystallography and was interpreted by density functional theory calculations (quantum theory of atoms in molecules and electron localization function analysis). These compounds may be viewed as models for key intermediates in the Ni-catalyzed C-H functionalization of arenes.
    Research group: Química Quàntica
    Thematic Areas: Chemistry Química Química
    licence for use: https://creativecommons.org/licenses/by/3.0/es/
    ISSN: 0020-1669
    Author identifier: 0000-0002-3945-6721; n/a; n/a; n/a; n/a; n/a
    Record's date: 2016-09-21
    Last page: 8047
    Journal volume: 55
    Papper version: info:eu-repo/semantics/acceptedVersion
    Link to the original source: http://pubs.acs.org/doi/abs/10.1021/acs.inorgchem.6b01162?src=recsys
    Licence document URL: https://repositori.urv.cat/ca/proteccio-de-dades/
    Article's DOI: 10.1021/acs.inorgchem.6b01162
    Entity: Universitat Rovira i Virgili
    Journal publication year: 2016
    First page: 8041
    Publication Type: Article Artículo Article
  • Keywords:

    Lligands -- Reaccions químiques
    Està en blanc
    Chemistry
    Química
    Química
    0020-1669
  • Documents:

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