Dehydrogenation of alkanes to yield olefins is of great interest in view of the versatility of olefins as intermediates and reagents. Iridium complexes of PCP-type pincer ligands have been intensively studied as catalysts for alkane dehydrogenation, particularly transfer-dehydrogenation but also acceptorless dehydrogenation, proceeding via Ir(I) intermediates. Ir(III) complexes of the NCN-type ligand Phebox have been studied and recently reported to be extremely active for acceptorless dehydrogenation of n-alkanes. Here we report synthesis of a (phenyl-<i>di</i>-(xylyl)imine)iridium complex which we find is the most active catalyst to date for acceptorless dehydrogenation of n-alkanes. Transfer dehydrogenation by the same catalyst, however, is rather slow at typical conditions. DFT calculations indicate that the catalysis proceed via Ir(I) intermediates, analogous to the (PCP)Ir-type catalysts.

Mechanistic studies of alkane dehydrogenation by a (phenyl-<i>di</i>-(xylyl)imine)iridium complex

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Mechanistic studies of alkane dehydrogenation by a (phenyl-di-(xylyl)imine)iridium complex