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Russian Journal of General Chemistry

, Volume 88, Issue 11, pp 2251–2256 | Cite as

Conformational Analysis of Tris(3-methylphenyl)phosphine and Its Chalcogenides

  • R. R. Ismagilova
  • A. A. Kuznetsova
  • D. V. Chachkov
  • S. F. Malysheva
  • N. A. Belogorlova
  • Ya. A. VereshchaginaEmail author
Article
  • 17 Downloads

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).

Keywords

tris(3-methylphenyl)phosphine phosphine chalcogenides dipole moment conformational analysis DFT calculations 

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Copyright information

© Pleiades Publishing, Ltd. 2018

Authors and Affiliations

  • R. R. Ismagilova
    • 1
  • A. A. Kuznetsova
    • 1
  • D. V. Chachkov
    • 1
    • 2
  • S. F. Malysheva
    • 3
  • N. A. Belogorlova
    • 3
  • Ya. A. Vereshchagina
    • 1
    Email author
  1. 1.Kazan (Volga Region) Federal UniversityKazan, TatarstanRussia
  2. 2.Kazan Branch, Interdepartmental Supercomputer Center, Russian Academy of Sciences, Federal Science Center “Research Institute of Systemic Studies,”Russian Academy of SciencesKazan, TatarstanRussia
  3. 3.Favorskii Irkutsk Institute of Chemistry, Siberian BranchRussian Academy of SciencesIrkutskRussia

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