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Catalytic role of amines in activation of PhICl2 from a computational point of view

Citation

Farshadfar, K and Ariafard, A, Catalytic role of amines in activation of PhICl2 from a computational point of view, Chemical Communications, 57, (72) pp. 9108-9111. ISSN 1359-7345 (2021) [Refereed Article]


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DOI: doi:10.1039/d1cc03618a

Abstract

We thoroughly investigated mechanistic features of dichlorination of diazoacetates using PhICl2 catalysed by pyridine. We found that the pyridine serves as a catalyst for decomposition of PhICl2 to PhI and Cl2, leading to the dichlorination step being driven by the in situ generated Cl2. This type of activation was found to be applicable to other amine-catalysed chlorination reactions using PhICl2.

Item Details

Item Type:Refereed Article
Keywords:DFT calculations, hypervalent iodine chemistry, redox chemistry
Research Division:Chemical Sciences
Research Group:Physical chemistry
Research Field:Catalysis and mechanisms of reactions
Objective Division:Expanding Knowledge
Objective Group:Expanding knowledge
Objective Field:Expanding knowledge in the chemical sciences
UTAS Author:Ariafard, A (Associate Professor Alireza Ariafard)
ID Code:150052
Year Published:2021
Funding Support:Australian Research Council (DP180100904)
Deposited By:College Office - CoSE
Deposited On:2022-05-16
Last Modified:2022-05-18
Downloads:0

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