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. 2022 Apr 12;13(19):5707–5717. doi: 10.1039/d2sc01232d

Thermodynamics of the disproportionation reactions of 1a and 2a.

Reaction ΔE (kcal mol−1)
1a 2a
FeIV(O)(L) + FeIV(O)(L) → FeIV(O)(L+˙) + FeIII(O)(L) 55.5 51.5
FeIV(OH)(L) + FeIV(O)(L) → FeIV(O)(L+˙) + FeIII(OH)(L) 7.18 −1.87
FeIV(OH)(L) + FeIV(OH)(L) → FeIV(O)(L+˙) + FeIII(OH2)(L) −1.04 −12.0