fig1

Figure 1. Molecular structures of the species used in the simulations: (A) EC (C₃H₄O₃); (B) EMC (C₄H₈O₃); (C) P-Fc (C₁₁H₁₁O₅FeP); (D) P-Fc₂ (C₂₂H₁₉O₆Fe₂P); (E) P-Fc₃ (C₃₃H₂₇O₇Fe₃P); (F) P₂-Fc (C₁₂H₁₂O₁₀P₂Fe); and (G) P₃-Fc (C₁₃H₁₃O₁₅P₃Fe).