Electronic Structure of High-Spin Iron(III)−Alkylperoxo Complexes and Its Relation to Low-Spin Analogues:  Reaction Coordinate of O−O Bond Homolysis

  • Nicolai Lehnert
    Contribution from the Department of Chemistry, Stanford University, Stanford, California 94305-5080, and Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota, Minneapolis, Minnesota 55455
  • Raymond Y. N. Ho
    Contribution from the Department of Chemistry, Stanford University, Stanford, California 94305-5080, and Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota, Minneapolis, Minnesota 55455
  • Lawrence Que
    Contribution from the Department of Chemistry, Stanford University, Stanford, California 94305-5080, and Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota, Minneapolis, Minnesota 55455
  • Edward I. Solomon
    Contribution from the Department of Chemistry, Stanford University, Stanford, California 94305-5080, and Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota, Minneapolis, Minnesota 55455

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