Insights into the mechanism for the catalytic transfer hydrogenation of nitrobenzene to azobenzene on Au (1 0 0) surface under alkaline condition

Design of gold catalysts for activation of H2 and H-donor molecules: transfer hydrogenation and CO2 hydrogenation

“…In this way, the amine participates in the mechanism transferring hydrogen atoms originating from two different species (Au-H − and R 3 N + H), which were then transferred to the substrate. Yang et al 107 demonstrated in a computational study the important role of a base in the CTH of nitrobenzene to nitroarene on Au(100), wherein the presence of OH − promoted the extraction of H-atoms from 2-propanol to form surface active H*. The rate-determining step of the overall reaction is the H-assisted breaking of the N-O bond creating adsorbed azoxyarene intermediate species.…”