Investigation of the activation mode of vinylarene in Giri's Ni-catalyzed vinylarene intermolecular 1,2-alkylarylation cross-coupling: a theoretical study

Computational evidence that supports a migratory insertion activation mode of alkenes in the Ni-catalyzed vinylarene 1,2-alkylarylation cross-coupling is presented. However, the activation mode of vinylarene was radical addition, when bipyridyl was used as a ligand.