Nickel Carbide Nanoparticle Catalyst for Selective Hydrogenation of Nitriles to Primary Amines.

Despite its unique physicochemical properties, the catalytic application of nickel carbide (Ni 3 C) in organic synthesis is rare. In this study, we report well-defined nanocrystalline Ni 3 C (nano-Ni 3 C) as a highly active catalyst for the selective hydrogenation of nitriles to primary amines. The activity of the aluminum-oxide-supported nano-Ni 3 C (nano-Ni 3 C/Al 2 O 3 ) catalyst surpasses that of Ni nanoparticles. Various aromatic and aliphatic nitriles and dinitriles were successfully converted to the corresponding primary amines under mild conditions (1 bar H 2 pressure). Furthermore, the nano-Ni 3 C/Al 2 O 3 catalyst was reusable and applicable to gram-scale experiments. Density functional theory calculations suggest the formation of polar hydrogen species on the nano-Ni 3 C surface, which were attributed to the high activity of nano-Ni 3 C towards nitrile hydrogenation. This study demonstrates the utility of metal carbides as a new class of catalysts for liquid-phase organic reactions.