Email this article Conformational Analysis of Tris(3-methylphenyl)phosphine and Its Chalcogenides
- Authors: Ismagilova R.R.1, Kuznetsova A.A.1, Chachkov D.V.1,2, Malysheva S.F.3, Belogorlova N.A.3, Vereshchagina Y.A.1
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Affiliations:
- Kazan (Volga Region) Federal University
- Kazan Branch, Interdepartmental Supercomputer Center, Russian Academy of Sciences, Federal Science Center “Research Institute of Systemic Studies,”
- Favorskii Irkutsk Institute of Chemistry, Siberian Branch
- Issue: Vol 88, No 11 (2018)
- Pages: 2251-2256
- Section: Article
- URL: https://journal-vniispk.ru/1070-3632/article/view/222521
- DOI: https://doi.org/10.1134/S1070363218110026
- ID: 222521
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Abstract
Conformational analysis of tris(3-methylphenyl)phosphine and its chalcogenides has been performed by methods of dipole moments, IR spectroscopy, and quantum chemistry [DFT B3PW91/6-31G(df,p)]. In solution, these compounds exist as an equilibrium of conformers with gauche- and cis-arrangement of the substituents at the phosphorus atom relative to the P=X bond (X = lone electron pair, O, S, Se).
About the authors
R. R. Ismagilova
Kazan (Volga Region) Federal University
Email: yavereshchagina@gmail.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
A. A. Kuznetsova
Kazan (Volga Region) Federal University
Email: yavereshchagina@gmail.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
D. V. Chachkov
Kazan (Volga Region) Federal University; Kazan Branch, Interdepartmental Supercomputer Center, Russian Academy of Sciences, Federal Science Center “Research Institute of Systemic Studies,”
Email: yavereshchagina@gmail.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008; Kazan, Tatarstan
S. F. Malysheva
Favorskii Irkutsk Institute of Chemistry, Siberian Branch
Email: yavereshchagina@gmail.com
Russian Federation, Irkutsk
N. A. Belogorlova
Favorskii Irkutsk Institute of Chemistry, Siberian Branch
Email: yavereshchagina@gmail.com
Russian Federation, Irkutsk
Ya. A. Vereshchagina
Kazan (Volga Region) Federal University
Author for correspondence.
Email: yavereshchagina@gmail.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
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