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

Autor:	Nataliya A. Chernysheva, Denis V. Chachkov, Ya. A. Vereshchagina, R. R. Ismagilova
Rok vydání:	2020
Předmět:	Quantum chemical chemistry.chemical_classification chemistry.chemical_compound 010405 organic chemistry Chemistry Organic Chemistry Markovnikov's rule Polymer chemistry Molecular mechanism 01 natural sciences Phosphine Alkyl 0104 chemical sciences
Zdroj:	Russian Journal of Organic Chemistry. 56:1696-1701
ISSN:	1608-3393 1070-4280
DOI:	10.1134/s1070428020100048
Popis:	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.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::2403c4139a1b3787cb92673277e3b52a https://doi.org/10.1134/s1070428020100048 Zobrazit plný text záznamu Plný text ve formátu PDF Plný text ve formátu HTML
Nepřihlášeným uživatelům se plný text nezobrazuje	K zobrazení výsledku je třeba se přihlásit.