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:	Publisher
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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