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(A) Computed values for O2 binding (pKO2, left) and pKa[FeIII(por)(O2H•)]+ − pKa[DMF–H]+ (right), correlated with E1/2(FeIII/FeII) for some of the Fe(por) in Figure 2A (ref 10). (B) Chemical steps to the rate-determining step and their free energy profile for three different Fe(por) catalysts, equivalent to eq 10. Adapted with permission from ref 10. Copyright 2016 American Chemical Society.
