Figure 11.

Catalytic cycle of water splitting suggested by DFT QM/MM models of the OEC of PSII [39]. Dashed arrows in dark yellow indicate transformations leading to the following S-state in the cycle. Changes caused by an S-state transition are highlighted in red. The blue circles highlight substrate water molecules (also shown in blue). Coordination bonds elongated by Jahn-Teller distortions are marked in green. The orientation of the metal cluster corresponds to Figure 6, where Mn(1), Mn(2), Mn(3) and Mn(4) are indicated.