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    PCP complexes of Titanium in the +3 and +4 oxidation states


    Stadler, Benedek and Meng, Hilary and Belazregue, Sara and Webster, Leah and Collauto, Alberto and Byrne, Keelan and Krämer, Tobias and Chadwick, F. Mark (2023) PCP complexes of Titanium in the +3 and +4 oxidation states. Organometallics, 42. pp. 1278-1285. ISSN 0276-7333

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    Abstract

    Ti(IV) and Ti(III) complexes using the tBuPCP ligand have been synthesized (tBuPCP = C6H3-2,6-(CH2PtBu2)2). The [tBuPCP]Li synthon can be reacted with TiCl4(THF)2 to form (tBuPCP)TiCl3 (1) in limited yields due to significant reduction of the titanium synthon. The Ti(III) complex (tBuPCP)TiCl2 (2) has been further characterized. This can have half an equivalent of halide abstracted to form [{(tBuPCP)TiCl}2{μ-Cl}][B(C6F5)4] (3) and can also be methylated, forming (tBuPCP)TiMe2 (4). All the Ti(III) complexes have been characterized using EPR and X-ray crystallography, giving insight into their electronic structures, which are further supported by DFT calculations.

    Item Type: Article
    Keywords: Aromatic compounds; Crystal structure; PCP Pincer Complexes; Titanium; Oxidation States; Hydrocarbons; Ligands; Mathematical methods;
    Academic Unit: Faculty of Science and Engineering > Chemistry
    Faculty of Science and Engineering > Research Institutes > Hamilton Institute
    Item ID: 18741
    Identification Number: https://doi.org/10.1021/acs.organomet.2c00662
    Depositing User: IR Editor
    Date Deposited: 21 Aug 2024 14:18
    Journal or Publication Title: Organometallics
    Publisher: American Chemical Society
    Refereed: Yes
    URI:
    Use Licence: This item is available under a Creative Commons Attribution Non Commercial Share Alike Licence (CC BY-NC-SA). Details of this licence are available here

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