Mechanism of the hydrolysis reactions of 1-hydroxysilatrane and 1-hydroxygermatrane, 2, 2-dihydroxysilocane and 2, 2-dihydroxygermocane. (3rd March 2016)

• Record Type: Journal Article
• Authors: Vereshchagina, Yana A.; Chachkov, Denis V.; Alimova, Alsu Z.; Ishmaeva, Eleonora A.
• Is Part Of: Phosphorus, sulfur, and silicon and the related elements. Volume 191:Number 3(2016)
• Page Start: 496
• Page End: 501
• Publication Date: 2016-03-03
• Subjects: Silocanes -- germocanes -- atranes -- reaction mechanism -- quantum chemical calculations; Sulfur compounds -- Periodicals; Organosulfur compounds -- Periodicals; Phosphorus compounds -- Periodicals; Organophosphorus compounds -- Periodicals; Silicon compounds -- Periodicals; Organosilicon compounds -- Periodicals; 546
• DOI: 10.1080/10426507.2015.1114486
• Languages: English
• ISSNs: 1042-6507

Abstract

GRAPHICAL ABSTRACT: ABSTRACT: The mechanism of the hydrolysis reactions of 2, 2-dihydroxysilocane, 2, 2-dihydroxygermocane, 1-hydroxysilatrane, and 1-hydroxygermatrane was studied by the density functional theory method. According to the quantum chemical calculations, the reactions of hydrolysis for 2, 2-dihydroxysilocane and 2, 2-dihydroxygermocane are characterized by the lower values of activation energy than for 1-hydroxysilatrane and 1-hydroxygermatrane. The ring configurations of the hydrolysis products are stable due to the presence of transannular interaction N→X (X = Si, Ge) and intramolecular hydrogen bond in their molecules.