A Theoretical Insight into the Mechanism of the Silver‐Catalysed Transsiliranation Reaction

Abstract

Abstract DFT calculations on a silver‐catalysed transsiliranation reaction (silylene transfer from a silirane to an alkene) have shown the key role of a silylenesilver ion in the catalyticcycle. Although the corresponding triflate‐bound species has previously been detected by NMR and IR spectroscopy, no significant silylene‐transfer activity is predicted for such a nonionised structure. Several experimental results can be explained by this new reaction mechanism.