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Thermodynamics of heterolytic cleavage of O–O bonds in P450 and ABLM and direct H-atom abstraction by ABLM.
| Reactant | Thermodynamics (kcal/mol) | |||
|---|---|---|---|---|
| ΔE | ΔE(solv) | −TΔS | ΔG | |
| FeIII(Por)(SCH3)–OOH Heterolytic | −75 | −52 | −6 | −58 |
| FeIII(BLM)–OOH Heterolytic | +99 | +20 | −7 | +13 |
| FeIII(BLM)–OOH Direct H-atom | +13 | +9 | −16 | −7 |
