Theoretical study on the substitution and insertion reactions of silylenoid H2SiLiF with CH3XHn−1 (X = F, Cl, Br, O, N; n = 1, 1, 1, 2, 3)

The substitution reactions of H2SiLiF (A) with CH3XHn−1 (X = F, Cl, Br, O, N; n = 1, 1, 1, 2, 3) proceed via two reaction paths, forming the same product H2SiFCH3. The insertion reactions of A with CH3XHn−1 form H2SiXHn−1CH3. The substitution reactions occur more readily than the insertion reactions for A with CH3XHn−1 systems.