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dc.contributor.author | Kuznetsova A.A. | |
dc.contributor.author | Chachkov D.V. | |
dc.contributor.author | Belogorlova N.A. | |
dc.contributor.author | Kuimov V.A. | |
dc.contributor.author | Malysheva S.F. | |
dc.contributor.author | Vereshchagina Y.A. | |
dc.date.accessioned | 2022-02-09T20:36:06Z | |
dc.date.available | 2022-02-09T20:36:06Z | |
dc.date.issued | 2021 | |
dc.identifier.issn | 1070-4280 | |
dc.identifier.uri | https://dspace.kpfu.ru/xmlui/handle/net/169316 | |
dc.description.abstract | Abstract: The polarity and structure of tri(1- or 2-naphthyl)phosphines and their chalcogenides were determined by the methods of dipole moments, IR spectroscopy, and DFT quantum-chemical calculations at the B3PW91/6-311++G(df,p) level of theory. In solution, tri(1-naphthyl)phosphine prefers a single conformer with a gauche,gauche,gauche orientation of the substituents at the phosphorus. Tri(2-naphthyl)phosphine, as well as both phosphine chalcogenides exist as equilibrium mixtures of several forms with a propeller arrangement of the substituents and a cis or gauche orientation of the Csp2‒Csp2 and P=X (X = LEP, O, S, Se) bonds. | |
dc.relation.ispartofseries | Russian Journal of Organic Chemistry | |
dc.subject | conformational analysis | |
dc.subject | DFT calculations | |
dc.subject | IR spectroscopy | |
dc.subject | phosphine chalcogenides,dipole moments | |
dc.subject | tri(1-naphthyl)phosphine | |
dc.subject | tri(2-naphthyl)phosphine | |
dc.title | Polarity and Conformational Analysis of Tri(1-naphthyl)phosphine, Tri(2-naphthyl)phosphine, and Their Chalcogenides | |
dc.type | Article | |
dc.relation.ispartofseries-issue | 8 | |
dc.relation.ispartofseries-volume | 57 | |
dc.collection | Публикации сотрудников КФУ | |
dc.relation.startpage | 1245 | |
dc.source.id | SCOPUS10704280-2021-57-8-SID85115791630 |