Figure . Computed catalytic cycles for semihydrogenation of diphenylacetylene and Z-stilbene isomerization, and computed pathway for the formation of complex 5. Gibbs free energies for intermediates and transition states were calculated at the B3LYP-GD3BJ/def2TZV/SMD//B3LYP-GD3BJ/6-31(d,p) level using toluene as solvent. In the calculations, the tolyl groups were substituted by phenyl groups, but the tolyl groups are plotted in the figure for clarity.