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

Abstract

© 2018, Pleiades Publishing, Ltd. 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.