Fig. 9. Optimized structures of six coordinate low spin (A) [FeIIIL3-m-CPBA]H+; (B) [FeIIIL2-m-CPBA]H+; (C) [FeIIITPP-m-CBPA]H+ with m-CPBA and water as axial ligands and distal basic groups in the PCM model considering CH2Cl2 as a solvent. color codes: carbon → grey, hydrogen → white, nitrogen → blue, oxygen → red, chlorin → green and iron → bluish grey.
