Specifically, E 0 (BN • /BN -) is not available, so E 0 (C6H6 • /C6H6 -) was used to compute Keq 19 , while the value for Keq 20 assumes H2O as the proton source. Additional details for the approximation of both equilibrium constants are provided in the Supporting Information. Nonetheless, kf and kf remain as the sole fitting parameters for the simulations shown in Figure since values for kf and kf were found from simulations in the absence of 4-BrBN, These simulations provide an important design principle the oxidative reduction method: