Gas‐Phase Dehydrogenation of Alkanes: C−H Activation by a Graphene‐Supported Nickel Single‐Atom Catalyst Model.

Borrome, Michael; Gronert, Scott

A gas‐phase anionic nickel(0) fluorenyl complex is shown to effect the dehydrogenation of linear, branched, and cyclic alkanes via C−H activation. It performs dehydrogenations via a C−H insertion followed by β‐hydride elimination. When given energy via collision‐induced dissociation, the system is capable of second and third dehydrogenations to form dienes and aromatics such as benzene. Kinetic isotope effects and DFT calculations completed at the M06/6–311 G** level support the proposed mechanism. The metal complex can act as an experimental model for graphene‐supported nickel single‐atom catalysts and suggests that these catalysts are capable of alkane dehydrogenation via C−H activation.

DEHYDROGENATION; NICKEL catalysts; STEAM reforming; KINETIC isotope effects; ALKANES

Angewandte Chemie, 2019, Vol 131, Issue 42, p15048

0044-8249

Academic Journal

10.1002/ange.201907487