Relative stabilities of M/NHC complexes (M = Ni, Pd, Pt) against R–NHC, X–NHC and X–X couplings in M(0)/M( ii ) and M( ii )/M( iv ) catalytic cycles: a theoretical study

The complexes of Ni, Pd, and Pt with N-heterocyclic carbenes (NHCs) catalyze numerous organic reactions via proposed typical M 0 /M II catalytic cycles comprising intermediates with the metal center in (0) and (II) oxidation states. In addition, M II /M IV catalytic cycles have been proposed for a n...

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