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

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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