Substrate-Controlled Mechanistic Switch Between Protodemetalation and Oxidative Addition in Rh-Catalyzed Carbometalation: A DFT Study

This DFT computational study establishes distinct mechanistic pathways for the Rh(I)-catalyzed carbometalation of dihydropyridines and dihydroquinolines, underpinning their divergent enantioselectivity. For dihydropyridines, the energetically preferred route—comprising alkene insertion, protodemetalation, and...