were calculated for all species, and the respective final energies are reported as UB3LYP/B2+ZPE data. For Cpd I-mediated reactions, the S = 3/2 and S = 1/2 states generally exhibit similar reactivities, 4b so no added information (other the well know two-state reactivity) is provided by studying both states. Hence, all of the reactions of Cpd I were studied in the S = 1/2 state.