Fig. 8
Free energy profile for catalyst formation with phenyliodide. The free energy profile for the formation of active catalytic species 6 during the Ni(II)-catalysed C–H bond arylation of an aliphatic amides with a phenyliodide. Relative energy changes are in kcal mol−1 and were calculated at the M11-L/6-311+G(d) level in DMF solvent
