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Catalytic role of amines in activation of PhICl<sub>2</sub>from a computational point of view

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dc.contributor.authorFarshadfar, Kavehen
dc.contributor.authorAriafard, Alirezaen
dc.date.accessioned2026-01-01T13:41:26Z
dc.date.available2026-01-01T13:41:26Z
dc.date.issued2021-09-16en
dc.description.abstractWe 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.en
dc.description.sponsorshipWe thank the Australian Research Council (ARC) for project funding (DP180100904) and the Australian National Computational Infrastructure and the University of Tasmania for the generous allocation of computing time.en
dc.description.statusPeer-revieweden
dc.format.extent4en
dc.identifier.issn1359-7345en
dc.identifier.otherPubMed:34498641en
dc.identifier.otherORCID:/0000-0003-2383-6380/work/198195218en
dc.identifier.scopus85114684817en
dc.identifier.urihttps://hdl.handle.net/1885/733800691
dc.language.isoenen
dc.rights © 2021 The Author(s)en
dc.sourceChemical Communicationsen
dc.titleCatalytic role of amines in activation of PhICl<sub>2</sub>from a computational point of viewen
dc.typeJournal articleen
dspace.entity.typePublicationen
local.bibliographicCitation.lastpage9111en
local.bibliographicCitation.startpage9108en
local.contributor.affiliationFarshadfar, Kaveh; Islamic Azad Universityen
local.contributor.affiliationAriafard, Alireza; Department of Chemistryen
local.identifier.citationvolume57en
local.identifier.doi10.1039/d1cc03618aen
local.identifier.pure5a714530-a5da-4ac6-9d05-23aefbc9f41aen
local.identifier.urlhttps://www.scopus.com/pages/publications/85114684817en
local.type.statusPublisheden

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