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Crystallographic Evidence for a Sterically Induced Ferryl Tilt in a Non-Heme Oxoiron(IV) Complex that Makes it a Better Oxidant.
Rasheed, Waqas; Draksharapu, Apparao; Banerjee, Saikat; Young, Victor G; Fan, Ruixi; Guo, Yisong; Ozerov, M; Nehrkorn, Joscha; Krzystek, J; Telser, Joshua; Que, Lawrence.
Afiliación
  • Rasheed W; Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota, Minneapolis, MN, 55455, USA.
  • Draksharapu A; Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota, Minneapolis, MN, 55455, USA.
  • Banerjee S; Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota, Minneapolis, MN, 55455, USA.
  • Young VG; Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota, Minneapolis, MN, 55455, USA.
  • Fan R; Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA, 15213, USA.
  • Guo Y; Department of Chemistry, Carnegie Mellon University, Pittsburgh, PA, 15213, USA.
  • Ozerov M; National High Magnetic Field Laboratory (NHMFL), Florida State University, Tallahassee, FL, 32310, USA.
  • Nehrkorn J; National High Magnetic Field Laboratory (NHMFL), Florida State University, Tallahassee, FL, 32310, USA.
  • Krzystek J; National High Magnetic Field Laboratory (NHMFL), Florida State University, Tallahassee, FL, 32310, USA.
  • Telser J; Department of Biological, Chemical and Physical Sciences, Roosevelt University, Chicago, IL, 60605, USA.
  • Que L; Department of Chemistry and Center for Metals in Biocatalysis, University of Minnesota, Minneapolis, MN, 55455, USA.
Angew Chem Int Ed Engl ; 57(30): 9387-9391, 2018 07 20.
Article en En | MEDLINE | ID: mdl-29882390
Oxoiron(IV) units are often implicated as intermediates in the catalytic cycles of non-heme iron oxygenases and oxidases. The most reactive synthetic analogues of these intermediates are supported by tetradentate tripodal ligands with N-methylbenzimidazole or quinoline donors, but their instability precludes structural characterization. Herein we report crystal structures of two [FeIV (O)(L)]2+ complexes supported by pentadentate ligands incorporating these heterocycles, which show longer average Fe-N distances than the complex with only pyridine donors. These longer distances correlate linearly with log k2 ' values for O- and H-atom transfer rates, suggesting that weakening the ligand field increases the electrophilicity of the Fe=O center. The sterically bulkier quinoline donors are also found to tilt the Fe=O unit away from a linear N-Fe=O arrangement by 10°.
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Angew Chem Int Ed Engl Año: 2018 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Alemania
Texto completo
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Texto completo: 1 Colección: 01-internacional Base de datos: MEDLINE Idioma: En Revista: Angew Chem Int Ed Engl Año: 2018 Tipo del documento: Article País de afiliación: Estados Unidos Pais de publicación: Alemania