Figure 4.

Ga₄L₆^12– supramolecular catalyst for reductive elimination from gold complexes.⁹ (a) Structure of Ga₄L₆^12– and the proposed reaction mechanism.^8,9,58 (b) The gold complex, the reactive Au–C₁ and Au–C₂ bonds, and the complexed water molecule position in the transition state; the nanocage and greater water environment are not shown for clarity. (c) The activation free energy stabilization by region using eq 1 for the complexed water molecule, the nanocage, and the remaining water solvent obtained by ensemble-averaged MD calculations.⁶¹