Mechanistic Insights into the Coupling of Hydrosilanes and Alcohol-Amines for Hydrogen Production.

ABSTRACT: The production of hydrogen on-demand via the dehydrogenative coupling of hydrosilanes and alcohol-amines, conducted at room temperature without solvents nor catalysts, marks a significant advancement in the pursuit of greener energy sources. This work deals with the reaction mechanism of the dehydrogenative coupling of phenyl silane (PhS) and 2-(methylamino)-ethanol (MEA) as well as the interference of hydrolysis/condensation and disproportionation reactions when alkoxy-containing hydrosilanes, such as triethoxysilane (TES), are used. DFT methods were used to calculate the thermodynamic properties of the reactions involved (Δ_r G°, Δ_r H°, and Δ_r S°), the hydride donating ability of the reactants and intermediate products (HDA) as well as

SUBMITTER: A Martin S 

PROVIDER: S-EPMC12631345 | biostudies-literature | 2025 Nov

REPOSITORIES: biostudies-literature