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Quantum Chemical Study of the Addition of Secondary Phosphine Chalcogenides to Vinyl Selenides

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dc.contributor.author Vereshchagina Y.A.
dc.contributor.author Ismagilova R.R.
dc.contributor.author Chachkov D.V.
dc.contributor.author Chernysheva N.A.
dc.date.accessioned 2021-02-25T20:38:41Z
dc.date.available 2021-02-25T20:38:41Z
dc.date.issued 2020
dc.identifier.issn 1070-4280
dc.identifier.uri https://dspace.kpfu.ru/xmlui/handle/net/162150
dc.description.abstract © 2020, Pleiades Publishing, Ltd. Abstract: DFT quantum chemical calculations at the B3PW91/6-31G(d) level of theory have shown that the addition of secondary phosphine sulfides and phosphine selenides with alkyl, phenyl, and phenylalkyl substituents to pentyl vinyl and hexyl vinyl selenides follows a molecular mechanism against the Markovnikov rule through energetically favorable eight-membered transition state, leading to the formation of tertiary phosphine chalcogenides. Secondary phosphine selenides are more reactive than the corresponding phosphine sulfides.
dc.relation.ispartofseries Russian Journal of Organic Chemistry
dc.subject DFT calculations
dc.subject hydrophosphinylation
dc.subject phosphine selenides
dc.subject phosphine sulfides
dc.subject reaction mechanisms
dc.subject vinyl selenides
dc.title Quantum Chemical Study of the Addition of Secondary Phosphine Chalcogenides to Vinyl Selenides
dc.type Article
dc.relation.ispartofseries-issue 10
dc.relation.ispartofseries-volume 56
dc.collection Публикации сотрудников КФУ
dc.relation.startpage 1696
dc.source.id SCOPUS10704280-2020-56-10-SID85096568144

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  • Публикации сотрудников КФУ Scopus [24551]
    Коллекция содержит публикации сотрудников Казанского федерального (до 2010 года Казанского государственного) университета, проиндексированные в БД Scopus, начиная с 1970г.

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