Mechanism of Hydrolysis of 1,1,1-Trisubstituted Hyposilatranes and Hypogermatranes


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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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Ya. Vereshchagina

Kazan Federal University

编辑信件的主要联系方式.
Email: yavereshchagina@yahoo.com
俄罗斯联邦, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008

R. Ismagilova

Kazan Federal University

Email: yavereshchagina@yahoo.com
俄罗斯联邦, 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
俄罗斯联邦, ul. Kremlevskaya 18, Kazan, Tatarstan, 420008; ul. Lobachevskogo 2/31, Kazan, Tatarstan, 420111

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