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Owing to an empty p orbital and a lone pair of electrons on the Si center, silylene exhibits reactivity similar to a transition-metal system capable of activating H2/C-H bonds and… Click to show full abstract
Owing to an empty p orbital and a lone pair of electrons on the Si center, silylene exhibits reactivity similar to a transition-metal system capable of activating H2/C-H bonds and small molecules. In this work, with the aid of density functional theory calculations, we systematically investigated the reactions of an acyclic silylene with CO, CO2, and N2O. The detailed mechanisms obtained lead to an in-depth understanding of the silylene single-site ambiphilic reactivity.
Keywords:
activation carbon;
carbon;
acyclic silylene;
insights activation;
mechanistic insights
Journal Title: Inorganic chemistry
Year Published: 2021
Link to full text (if available)
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Journal Title: Inorganic chemistry
Year Published: 2021
Link to full text (if available)
Share on Social Media: Sign Up to like & get
recommendations!