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Transition-metal-mediated hydride transfer reactions are fundamental steps in olefin polymerization and isomerization processes.p-Hydride elimination/migratory insertion sequence and ligand-to-ligand hydrogen transfer mechanism have been proposed for these reactions.We have performed comprehensive theoretical studies on prototype 1,4-hydride transfer reactions mediated by the Cp*M(lll)complexes(M = Co,Rh,Ir).Depending on the metal center,the reaction courses are quite divergent,ranging from dynamically concerted to explicitly stepwise man-ner.A More O'Farrell-Jencks-type plot is suggested to demonstrate the perturbation to the mechanistic continuum from the significant dynamic effects.