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

Farshadfar, K and Ariafard, A ORCID: 0000-0003-2383-6380 2021 , 'Catalytic role of amines in activation of PhICl2 from a computational point of view' , Chemical Communications, vol. 57, no. 72 , pp. 9108-9111 , doi: 10.1039/d1cc03618a.

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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 Type: Article
Authors/Creators:Farshadfar, K and Ariafard, A
Keywords: DFT calculations, hypervalent iodine chemistry, redox chemistry
Journal or Publication Title: Chemical Communications
Publisher: Royal Soc Chemistry
ISSN: 1359-7345
DOI / ID Number: 10.1039/d1cc03618a
Copyright Information:

This journal is © The Royal Society of Chemistry 2021

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