Fig. 10. Computed Gibbs energy profiles (in kcal mol⁻¹) for Ag at the BP86+D3(BJ)/def2-TZVPP (SMD, solvent = benzene)//BP86/def2-SVP level, and the electronic energies are given in bracket for reference. Other structures not shown along the reaction pathways are given in Fig. S18.† Key bond distances are given in Å for some optimized key intermediate and transition states. Color code, C: grey, N: blue, O: red, P: orange, Al: pink, Ag: white.