Does Serial Femtosecond Crystallography Depict State-Specific Catalytic Intermediates of the Oxygen-Evolving Complex?
Μαρία Δρόσου, Gerard Comas‐Vilà, Frank Neese, Pedro Salvador, Dimitrios A. Pantazis
Abstract
transition. Furthermore, the oxidation state definition in two-flashed (2F) structural models is practically impossible to elucidate. Our results advise caution in the extraction of electronic structure information solely from the literal interpretation of crystallographic models and call for re-evaluation of structural and mechanistic interpretations that presume exact correspondence of such models to specific catalytic intermediates of the OEC.
Topics & Concepts
ChemistryOxygen-evolving complexPhotosystem IIOxidation stateUnpaired electronElectronic structureCrystallographyChemical physicsCatalysisComputational chemistryMoleculePhotosynthesisBiochemistryOrganic chemistryPhotosynthetic Processes and MechanismsSpectroscopy and Quantum Chemical StudiesMetal-Catalyzed Oxygenation Mechanisms