Computational study of the cycloaddition reactivity of the osmium silylyne

The [2+2] cycloaddition reactivity of an osmium silylyne compound 2, [Cp∗(iPr3P)(H)OsSi(Trip)][HB(C6F5)3], with PhCCPh or PCtBu was studied by density functional theory (DFT) computations. These two reactions appear to be under kinetic control due to complex interplay between steric effects and the bonding interactions between two reacting fragments.86