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. Author manuscript; available in PMC: 2017 Aug 21.
Published in final edited form as: Phys Chem Chem Phys. 2016 Apr 20;18(31):21162–21171. doi: 10.1039/c6cp00349d

Figure 4.

Figure 4

The central portions of two feasible DNC models for the PM state after the O-O bond cleavage. A: [Fea34+=O2−…OH−-CuB2+, Tyr237•] in which the OH− group H-bonds with HOH608. B: [Fea34+=O2−···HO−-CuB2+, Tyr237•] in which the OH− group H-bonds with O2− (O1).