QUANTUM-CHEMICAL CALCULATIONS OF THE MECHANISM OF SOME REACTIONS OF THE INSERTION OF SILYLENES AND DICHLOROSILYLENES INTO A SINGLE BOND

Carbenes and silylenes can participate in some insertion reactions bot h in singlet and in triplet electronic states. The reactivity of silyl enes depends on the nature of their substituents. AM1 and PM3 semiempi rical calculations were performed for the reactions of silylene and di chlorosilylene insertion into the H-Cl bond of the hydrogen chloride m olecule and the C-O bond of the furane molecule. The data obtained was used to propose probable mechanisms of these reactions.