A change in the oxidation state of iron: Scandium is not innocent

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Through extensive molecular modelling of FeIII/IV-oxo and FeIII-hydroxo complexes it is shown here unambiguously that the assignment of the iron oxidation state of a Sc3+-capped iron-oxygen species should be revised. Iron in this Lewis-acid capped metal-bound oxygen system is FeIII, coinciding with water as a secondary axial ligand to scandium ​
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