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The Pt complexes [(bpy)Pt(Ph)(THF)] (bpy = 4,4′-X2-2,2′bipyridyl; x = OMe (1a), Bu (1b), H (1c), Br (1d), CO2Et (1e) and NO2 (1f)] catalyze the formation of n-propylbenzene and cumene from benzene and propene. The catalysts are selective for branched products, and the cumene/n-propylbenzene ratio decreases with increasing donor ability of the bpy ligand. DFT(D) calculations predict more favorable activation barriers for 1,2-insertion into the Pt−Ph bond to give branched products. The calculations indicate that 1,2-insertion of propene should be faster than 2,1-insertion for all Pt(II) catalysts studied, but they also indicate that cumene/n-propylbenzene selectivity is under Curtin−Hammett control.

Síntesis y estudio de carbenos acíclicos de oro(I): una alternativa a los carbenos heterocíclicos como catalizadores en transformaciones orgánicas de interés.