Catalytic role of amines in activation of PhICl2from a computational point of view

Kaveh Farshadfar; Alireza Ariafard

doi:10.1039/d1cc03618a

Catalytic role of amines in activation of PhICl₂from a computational point of view

Kaveh Farshadfar, Alireza Ariafard^*

^*Corresponding author for this work

Research output: Contribution to journal › Article › peer-review

6 Citations (Scopus)

Abstract

We thoroughly investigated mechanistic features of dichlorination of diazoacetates using PhICl₂catalysed by pyridine. We found that the pyridine serves as a catalyst for decomposition of PhICl₂to PhI and Cl₂, leading to the dichlorination step being driven by thein situgenerated Cl₂.

Original language	English
Pages (from-to)	9108-9111
Number of pages	4
Journal	Chemical Communications
Volume	57
Issue number	72
DOIs	https://doi.org/10.1039/d1cc03618a
Publication status	Published - 16 Sept 2021
Externally published	Yes

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10.1039/d1cc03618a

Cite this

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title = "Catalytic role of amines in activation of PhICl2from a computational point of view",

abstract = "We thoroughly investigated mechanistic features of dichlorination of diazoacetates using PhICl2catalysed by pyridine. We found that the pyridine serves as a catalyst for decomposition of PhICl2to PhI and Cl2, leading to the dichlorination step being driven by thein situgenerated Cl2.",

author = "Kaveh Farshadfar and Alireza Ariafard",

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AU - Farshadfar, Kaveh

AU - Ariafard, Alireza

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PY - 2021/9/16

Y1 - 2021/9/16

N2 - We thoroughly investigated mechanistic features of dichlorination of diazoacetates using PhICl2catalysed by pyridine. We found that the pyridine serves as a catalyst for decomposition of PhICl2to PhI and Cl2, leading to the dichlorination step being driven by thein situgenerated Cl2.

AB - We thoroughly investigated mechanistic features of dichlorination of diazoacetates using PhICl2catalysed by pyridine. We found that the pyridine serves as a catalyst for decomposition of PhICl2to PhI and Cl2, leading to the dichlorination step being driven by thein situgenerated Cl2.

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U2 - 10.1039/d1cc03618a

DO - 10.1039/d1cc03618a

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VL - 57

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JO - Chemical Communications

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ER -

Catalytic role of amines in activation of PhICl2from a computational point of view

Abstract

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Catalytic role of amines in activation of PhICl₂from a computational point of view