Dramatically accelerated selective oxygen-atom transfer by a nonheme iron(IV)-oxo complex: tuning of the first and second coordination spheres

J Am Chem Soc. 2014 Feb 19;136(7):2699-702. doi: 10.1021/ja410240c. Epub 2014 Feb 10.

Abstract

The new ligand N3Py(amide)SR and its Fe(II) complex [Fe(II)(N3Py(amide)SR)](BF4)2 (1) are described. Reaction of 1 with PhIO at -40 °C gives metastable [Fe(IV)(O)(N3Py(amide)SR)](2+) (2), containing a sulfide ligand and a single amide H-bond donor in proximity to the terminal oxo group. Direct evidence for H-bonding is seen in a structural analogue, [Fe(II)(Cl)(N3Py(amide)SR)](BF4)2 (3). Complex 2 exhibits rapid O-atom transfer (OAT) toward external sulfide substrates, but no intramolecular OAT. However, direct S-oxygenation does occur in the reaction of 1 with mCPBA, yielding sulfoxide-ligated [Fe(II)(N3Py(amide)S(O)R)](BF4)2 (4). Catalytic OAT with 1 was also observed.

Publication types

  • Research Support, N.I.H., Extramural
  • Research Support, Non-U.S. Gov't

MeSH terms

  • Hydrogen Bonding
  • Iron / chemistry*
  • Kinetics
  • Organometallic Compounds / chemistry*
  • Oxygen / chemistry*

Substances

  • Organometallic Compounds
  • ferryl iron
  • Iron
  • Oxygen