Email this article Mechanism of Hydrolysis of 2,2-Disubstituted Silocanes and Germocanes and 1-Substituted Silatranes and Germatranes
- Authors: Vereshchagina Y.A.1, Chachkov D.V.1,2, Ismagilova R.R.1, Vedeneeva E.A.1
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Affiliations:
- Kazan (Volga Region) Federal University
- Kazan Branch, Joint Supercomputer Center of the Russian Academy of Sciences
- Issue: Vol 54, No 3 (2018)
- Pages: 490-499
- Section: Article
- URL: https://journal-vniispk.ru/1070-4280/article/view/217424
- DOI: https://doi.org/10.1134/S1070428018030181
- ID: 217424
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Abstract
According to DFT quantum chemical calculations, hydrolysis of 2,2-disubstituted silocanes and germocanes is characterized by lower energies of activation and slightly lower positive Gibbs energies than the hydrolysis of the corresponding silatranes and germatranes. The annular configuration of the hydrolysis products is stabilized by the transannular interaction N→X (X = Si, Ge) and intramolecular hydrogen bonding.
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
D. V. Chachkov
Kazan (Volga Region) Federal University; Kazan Branch, Joint Supercomputer Center of the Russian Academy of Sciences
Email: yavereshchagina@yahoo.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008; ul. Lobachevskogo 2/31, Kazan, Tatarstan, 420111
R. R. Ismagilova
Kazan (Volga Region) Federal University
Email: yavereshchagina@yahoo.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
E. A. Vedeneeva
Kazan (Volga Region) Federal University
Email: yavereshchagina@yahoo.com
Russian Federation, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
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