Mechanism of Hydrolysis of 2,2-Disubstituted Silocanes and Germocanes and 1-Substituted Silatranes and Germatranes

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 h...

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Bibliographic Details
Published in:Russian journal of organic chemistry 2018-03, Vol.54 (3), p.490-499
Main Authors: Vereshchagina, Ya. A., Chachkov, D. V., Ismagilova, R. R., Vedeneeva, E. A.
Format: Article
Language:English
Subjects:
Chemistry
Chemistry and Materials Science
Germanium
Hydrogen bonding
Hydrolysis
Organic Chemistry
Quantum chemistry
Silicon
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Summary: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.
ISSN:1070-4280
1608-3393
DOI:10.1134/S1070428018030181