Fig. 5: Structural isomerism by μ3-OH−(W3) ligand transfer in the S0 state.
From: Closing Kok’s cycle of nature’s water oxidation catalysis
Metal oxidation states are labeled in Roman numerals and the J–T elongation axes are marked in orange. Spin up/down is marked in yellow/burgundy at the atomic centers involved (contour value for spin density set to 0.1). Note that all these parameters show slight model/functional dependence (see below).
