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Proton supplier role of binuclear gold complexes in promoting hydrofunctionalisation of nonactivated alkenes
Citation
Asgari, M and Hyland, CJT and Hashmi, ASK and Yates, BF and Ariafard, A, Proton supplier role of binuclear gold complexes in promoting hydrofunctionalisation of nonactivated alkenes, Catalysis Science & Technology, 9 pp. 1420-1426. ISSN 2044-4753 (2019) [Refereed Article]
Copyright Statement
© The Royal Society of Chemistry 2019
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 Details
Item Type: | Refereed Article |
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Keywords: | density functional theory, activation energy |
Research Division: | Chemical Sciences |
Research Group: | Organic chemistry |
Research Field: | Physical organic chemistry |
Objective Division: | Expanding Knowledge |
Objective Group: | Expanding knowledge |
Objective Field: | Expanding knowledge in the chemical sciences |
UTAS Author: | Yates, BF (Professor Brian Yates) |
UTAS Author: | Ariafard, A (Associate Professor Alireza Ariafard) |
ID Code: | 134443 |
Year Published: | 2019 |
Funding Support: | Australian Research Council (DP180100904) |
Web of Science® Times Cited: | 9 |
Deposited By: | Chemistry |
Deposited On: | 2019-08-13 |
Last Modified: | 2019-12-09 |
Downloads: | 0 |
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