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FMOs used by side-on (left) and end-on (center) FeIII-hydroperoxy species, as well as for an end-on FeIII-superoxy species (right), in forming a peroxy bridged intermediate. Only the end-on FeIII-superoxy π*σ FMO has a good orbital coefficient on the attacking O and overlap with the π cloud of the substrate for electrophilic attack.
