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Issue 39, 2010

The mechanism and energetics of insertion reactions of silylenes

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Abstract

56 insertion reactions between seven silylenes and eight reactants were investigated using B3LYP/cc-pVTZ method. The reaction energies and the stability of the silylenes are in good correlation. Silaimidazole-2-ylidene gives the highest reaction energies while Kira's stable five membered ring dialkylsilylene shows the smallest reaction energies. All the reaction energies and activation energies of the six-membered ring diazasilylene ({HC[CMeN(R)]2}Si, R = 2,6-diisopropylphenyl) were found equal to that of the saturated five-membered diazasilole. The sum of the reaction free energies (ΔG) and activation free energies (ΔG) of a reaction depend on the reactant but are independent of the silylene.

Graphical abstract: The mechanism and energetics of insertion reactions of silylenes

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Article information


Submitted
24 Mar 2010
Accepted
25 Jun 2010
First published
17 Aug 2010

Dalton Trans., 2010,39, 9347-9352
Article type
Paper

The mechanism and energetics of insertion reactions of silylenes

K. Nyíri, T. Szilvási and T. Veszprémi, Dalton Trans., 2010, 39, 9347 DOI: 10.1039/C0DT00197J

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