Tungsten(VI) N-heterocyclic carbene complexes : synthetic, structural, and computational study
Dodds, Christopher A and Spicer, Mark D and Tuttle, Tell (2011) Tungsten(VI) N-heterocyclic carbene complexes : synthetic, structural, and computational study. Organometallics, 30 (22). 6262–6269. ISSN 0276-7333 (https://doi.org/10.1021/om200838f)
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The reaction of WOCl4 with 1,3-bis(2,6-diisopropylphenyl)imidazol-2-ylidene (Idipp) leads to an orange solid whose spectroscopic data are consistent with the 1:1 adduct [WOCl4(Idipp)]. Computational studies at the DFT level further support this formulation. Exposure of this compound to the atmosphere results in rapid hydrolysis to various imidazolium salts. If air diffuses very slowly into solutions of [WOCl4(Idipp)], it also undergoes slow hydrolysis to form [WO2Cl2(Idipp)]. This has been crystallographically characterized and is the first five-coordinate, 1:1 adduct of WO2Cl2. This complex has also been subject to DFT calculations, and its metal-ligand bonding has been explored. The carbene-metal interaction is primarily σ-donor in nature. The mechanism of the hydrolysis has also been probed by computational methods, revealing a plausible, low-energy reaction pathway.
ORCID iDs
Dodds, Christopher A ORCID: https://orcid.org/0000-0002-4590-0307, Spicer, Mark D ORCID: https://orcid.org/0000-0002-6000-5677 and Tuttle, Tell;-
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Item type: Article ID code: 35371 Dates: DateEvent28 November 2011Published3 November 2011Published OnlineSubjects: Science > Chemistry Department: Faculty of Science > Pure and Applied Chemistry
Technology and Innovation Centre > BionanotechnologyDepositing user: Pure Administrator Date deposited: 28 Oct 2011 10:56 Last modified: 11 Nov 2024 09:58 URI: https://strathprints.strath.ac.uk/id/eprint/35371