Silylation of silicon bonded hydroxyl groups by silazanes and siloxanes containing an acetoxy group. N-trimethylsilylimidazole vs. dimethyldiacetoxysilane

Article ID	Journal	Published Year	Pages	File Type
5394601	Computational and Theoretical Chemistry	2012	4 Pages	PDF

Abstract

âº N-trimethylsilylimidazole (TMSIM) and dimethyldiacetoxysilane (DMDAS) for silylation. âº Calculation of minimum energy reaction paths for the silylation of silanol. âº TMSIM shows a very large activation barrier and a strong prereaction complex. âº DMDAS exhibits a relatively small activation barrier.

Keywords

NEB Ultra Low K Nudged elastic band Silylation Density functional theory Hydroxyl groups

Related Topics

Physical Sciences and Engineering Chemistry Physical and Theoretical Chemistry

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Silylation of silicon bonded hydroxyl groups by silazanes and siloxanes containing an acetoxy group. N-trimethylsilylimidazole vs. dimethyldiacetoxysilane

Authors

Oliver Böhm, Roman Leitsmann, Philipp Plänitz, Christian Radehaus, Matthias Schaller, Michael Schreiber,