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Proton supplier role of binuclear gold complexes in promoting hydrofunctionalisation of nonactivated alkenes

Asgari, M, Hyland, CJT, Hashmi, ASK, Yates, BF ORCID: 0000-0001-9663-3301 and Ariafard, A ORCID: 0000-0003-2383-6380 2019 , 'Proton supplier role of binuclear gold complexes in promoting hydrofunctionalisation of nonactivated alkenes' , Catalysis Science & Technology, vol. 9 , 1420–1426 , doi: 10.1039/c8cy02482k.

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Abstract

Density functional theory (DFT) was used to investigate PR3AuOTf-catalyzed hydrofunctionalisation of nonactivated alkenes using acetic acid and phenol where OTf = triflate (CF3SO3−). The gold(I) complex itself is found to be unlikely to operate as the π-activator due to its relatively low electrophilicity. Instead, the concurrent coordination of two gold(I) complexes to a nucleophile (PhOH or AcOH) enhances the acidity of the latter's proton and causes the ensuing binuclear complex to serve as a strong proton supplier for activating the alkene π-bonds. Alternatively, the binuclear complex is also susceptible to produce a hidden HOTf. This hidden acid is accessible for hydrofunctionalization to occur but it is not in sufficient concentration to decompose the final product.

Item Type: Article
Authors/Creators:Asgari, M and Hyland, CJT and Hashmi, ASK and Yates, BF and Ariafard, A
Keywords: density functional theory, activation energy
Journal or Publication Title: Catalysis Science & Technology
Publisher: Royal Society of Chemistry
ISSN: 2044-4753
DOI / ID Number: 10.1039/c8cy02482k
Copyright Information:

© The Royal Society of Chemistry 2019

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