Abstract Amination of resorcinol catalyzed by Raney nickel has been examined with good yield. Using the first principle density functional theory, some detailed mechanism of the amination of resorcinol on the Ni (111) surface is explored. The resorcinol is adsorbed on the Ni surface at the hollow site to form ketone by isomerization. The isomerization has a barrier of 122.1 kJ/mol. Ketone can couple with secondary amine mediated by resorcinol ...
