Email this article Polarity and structure of P(X)-modified (X = O, S) arylcarbamoylmethylphosphine oxides and sulfides
- Authors: Vereshchagina Y.A.1, Khanafieva R.R.1, Chachkov D.V.2, Artyushin O.I.3, Sharova E.V.3, Ishmaeva E.A.1
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Affiliations:
- Kazan (Volga region) Federal University
- Kazan Branch, Joint Supercomputer Center
- Nesmeyanov Institute of Organoelement Compounds
- Issue: Vol 52, No 10 (2016)
- Pages: 1413-1418
- Section: Article
- URL: https://journal-vniispk.ru/1070-4280/article/view/215025
- DOI: https://doi.org/10.1134/S1070428016100079
- ID: 215025
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Abstract
As shown by the dipole moment method and quantum chemical calculations, (arylcarbamoylmethyl) diphenylphosphine oxides and sulfides exist as equilibrium mixtures of several rotational isomers stabilized by H · · · X intramolecular hydrogen bonds (X = O, S). The most energetically favorable rotamer and its fraction have been determined for each compound.
About the authors
Ya. A. Vereshchagina
Kazan (Volga region) Federal University
Author for correspondence.
Email: yavereshchagina@yahoo.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
R. R. Khanafieva
Kazan (Volga region) Federal University
Email: yavereshchagina@yahoo.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
D. V. Chachkov
Kazan Branch, Joint Supercomputer Center
Email: yavereshchagina@yahoo.com
Russian Federation, ul Lobachevskogo 2/31, Kazan, Tatarstan, 420111
O. I. Artyushin
Nesmeyanov Institute of Organoelement Compounds
Email: yavereshchagina@yahoo.com
Russian Federation, ul. Vavilova 28, Moscow, 119991
E. V. Sharova
Nesmeyanov Institute of Organoelement Compounds
Email: yavereshchagina@yahoo.com
Russian Federation, ul. Vavilova 28, Moscow, 119991
E. A. Ishmaeva
Kazan (Volga region) Federal University
Email: yavereshchagina@yahoo.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
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