Synthesis, characterization, structures and Suzuki coupling reaction of Cu(II) complexes derived from N and O-containing organic ligand

A detailed theoretical investigation to unravel the molecular mechanism of the ligand-free copper-catalyzed Suzuki cross-coupling reaction

“…Since then, several copper-based Suzuki reaction protocols have been reported to facilitate Csp-Csp 2 , Csp 3 -Csp 3 , and Csp 2 -Csp 2 bond formations, including ligand-assisted and ligand-free protocols. [14][15][16][17][18][19][20][21][22][23]25,26,[28][29][30][31][32][33] The term 'ligand-free' refers to the use of metal salts such as MX or MX 2 (M = Cu or Pd and X = halides or acetate) as the pre-catalysts that does not involve any bulky ligands like diamines on the metal. [34][35][36][37] It is well established that the steric effects of bulky ligands such as phosphines or diamines on the metal catalyst could enhance the coupling process by reducing the activation barrier of the reaction.…”