摘要：The reaction of silylene with acetylene was observed by the density function theory (DFT) method at the 6-311 g (d,p) level. A new reaction pathway has been identified involving the tetra-conjugated:SiH _2CH=CHH _2Si:. Thermodynamic and kinetic analysis confirms the reaction to be spontaneous at room temperature. The new intermediate proposed in this work offers a resolution of the conundrum of the silylene/acetylene reaction.
