Polarity and structure of P(X)-modified (X = O, S) arylcarbamoylmethylphosphine oxides and sulfides


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Resumo

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.

Sobre autores

Ya. Vereshchagina

Kazan (Volga region) Federal University

Autor responsável pela correspondência
Email: yavereshchagina@yahoo.com
Rússia, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008

R. Khanafieva

Kazan (Volga region) Federal University

Email: yavereshchagina@yahoo.com
Rússia, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008

D. Chachkov

Kazan Branch, Joint Supercomputer Center

Email: yavereshchagina@yahoo.com
Rússia, ul Lobachevskogo 2/31, Kazan, Tatarstan, 420111

O. Artyushin

Nesmeyanov Institute of Organoelement Compounds

Email: yavereshchagina@yahoo.com
Rússia, ul. Vavilova 28, Moscow, 119991

E. Sharova

Nesmeyanov Institute of Organoelement Compounds

Email: yavereshchagina@yahoo.com
Rússia, ul. Vavilova 28, Moscow, 119991

E. Ishmaeva

Kazan (Volga region) Federal University

Email: yavereshchagina@yahoo.com
Rússia, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008

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