Enviar artigo por via de e-mail Mechanism of Hydrolysis of 1,1,1-Trisubstituted Hyposilatranes and Hypogermatranes
- Autores: Vereshchagina Y.A.1, Ismagilova R.R.1, Chachkov D.V.1,2
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Afiliações:
- Kazan Federal University
- Kazan Department of Joint Supercomputer Center of Russian Academy of Sciences — Branch of Federal State Institution “Scientific Research Institute for System Analysis of the RAS”
- Edição: Volume 55, Nº 2 (2019)
- Páginas: 227-233
- Seção: Article
- URL: https://journal-vniispk.ru/1070-4280/article/view/219882
- DOI: https://doi.org/10.1134/S1070428019020143
- ID: 219882
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Resumo
According to DFT calculations, hydrolysis of 1,1,1-trisubstituted hyposilatranes and hypogermatranes proceed in one stage and have lower activation energies than hydrolysis of the corresponding atranes and ocanes, and, unlike what is observed with the tricyclic and bicyclic analogs, the former reactions are characterized by positive Gibbs energies. The configuration of the hydrolysis products is stabilized by the transannular interactions N→X and O→X (X = Si, Ge) and intramolecular hydrogen bonding.
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Sobre autores
Ya. Vereshchagina
Kazan Federal University
Autor responsável pela correspondência
Email: yavereshchagina@yahoo.com
Rússia, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
R. Ismagilova
Kazan Federal University
Email: yavereshchagina@yahoo.com
Rússia, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008
D. Chachkov
Kazan Federal University; Kazan Department of Joint Supercomputer Center of Russian Academy of Sciences — Branch of Federal State Institution “Scientific Research Institute for System Analysis of the RAS”
Email: yavereshchagina@yahoo.com
Rússia, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008; ul. Lobachevskogo 2/31, Kazan, Tatarstan, 420111
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