Mechanism of the isomerization of silacyclopropene

The isomerization of singlet silacyclopropene has been studied by using MP2 method of quantum chemistry with 6 - 31G(d) basis set. The transition stat e for this reaction has been found to be a 3- membered ring, and the intrin sic reaction coordinate(IRC) calculation has been performed. The barrier he ight is 276.67kJ . mol(-1) and the released energy is 41.40kJ . mol(-1). Th e relative-structure data of the reactant,the transition state and the prod uct are given.