Fig. 4: Mechanistic studies for this Ni-catalyzed divergent reactions of SCBs with alkynes.
From: Nickel(0)-catalyzed divergent reactions of silacyclobutanes with internal alkynes
a Control experiments. b Plausible mechanism. c DFT investigation about mechanistic origin of the ligand-controlled structure divergence in the Ni-catalyzed reaction of SCB 1a with 2a. Free energies are shown in kcal/mol, distances in Å. Ni-silacycloheptene species was used as energy zero.
