Enviar artigo por via de e-mail Conformational Analysis of Tris(3-methylphenyl)phosphine and Its Chalcogenides
- Autores: Ismagilova R.1, Kuznetsova A.1, Chachkov D.1,2, Malysheva S.3, Belogorlova N.3, Vereshchagina Y.1
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Afiliações:
- 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
- Edição: Volume 88, Nº 11 (2018)
- Páginas: 2251-2256
- Seção: Article
- URL: https://journals.rcsi.science/1070-3632/article/view/222521
- DOI: https://doi.org/10.1134/S1070363218110026
- ID: 222521
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Resumo
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).
Sobre autores
R. Ismagilova
Kazan (Volga Region) Federal University
Email: yavereshchagina@gmail.com
Rússia, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
A. Kuznetsova
Kazan (Volga Region) Federal University
Email: yavereshchagina@gmail.com
Rússia, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
D. 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
Rússia, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008; Kazan, Tatarstan
S. Malysheva
Favorskii Irkutsk Institute of Chemistry, Siberian Branch
Email: yavereshchagina@gmail.com
Rússia, Irkutsk
N. Belogorlova
Favorskii Irkutsk Institute of Chemistry, Siberian Branch
Email: yavereshchagina@gmail.com
Rússia, Irkutsk
Ya. Vereshchagina
Kazan (Volga Region) Federal University
Autor responsável pela correspondência
Email: yavereshchagina@gmail.com
Rússia, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
