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Structural models that may account for the ESEEM observation of the weakly coupled exchangeable 17O at the Mo(V) center of hpH SOEs (indicated by a blue arrow in each structure): 17OH (or H2 17O) (a) weakly coordinated at the axial position trans to the oxo ligand; (b) hydrogen-bonded to the oxygen of the equatorial hydroxo ligand; (c) hydrogen-bonded to the hydrogen of the equatorial hydroxo ligand; or (d) 17OSO3 2− hydrogen-bonded to the equatorial OH ligand.
