Hydrocarbon Oxidation by an Exposed, Multiply Bonded Iron(III) Oxo Complex

Juan A. Valdez-Moreira, Daniel M. Beagan, Hao Yang, Joshua Telser, Brian M. Hoffman, Maren Pink, Veronica Carta, Jeremy M. Smith*

*Corresponding author for this work

Research output: Contribution to journalArticlepeer-review

20 Scopus citations

Abstract

The iron oxo unit, [Fe=O]n+ is a critical intermediate in biological oxidation reactions. While its higher oxidation states are well studied, relatively little is known about the least-oxidized form [FeIII=O]+. Here, the thermally stable complex PhB(AdIm)3Fe=O has been structurally, spectroscopically, and computationally characterized as a bona fide iron(III) oxo. An unusually short Fe-O bond length is consistent with iron-oxygen multiple bond character and is supported by electronic structure calculations. The complex is thermally stable yet is able to perform hydrocarbon oxidations, facilitating both C-O bond formation and dehydrogenation reactions.

Original languageEnglish (US)
Pages (from-to)1751-1755
Number of pages5
JournalACS Central Science
Volume7
Issue number10
DOIs
StatePublished - Oct 27 2021

Funding

We thank Prof. Liang Deng and Yiming Fan (SIOC) for an initial sample of iron starting material. Funding from the NSF is gratefully acknowledged by J.A.V.-M. and J.M.S. (CHE-1900020) and by B.M.H. (MCB-1908587). This material is also based upon work supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences under Award Number DE-SC0019342 (to B.M.H.). Support for the acquisition of the Bruker Venture D8 diffractometer through the Major Scientific Research Equipment Fund from the President of Indiana University and the Office of the Vice President for Research is gratefully acknowledged. NSF’s ChemMatCARS Sector 15 is supported by the NSF Divisions of Chemistry (CHE) and Materials Research (DMR), under Grant Number CHE-1834750. Use of the Advanced Photon Source, an Office of Science User Facility operated for the DOE Office of Science by Argonne National Laboratory, was supported by DOE under Contract No. DE-AC02-06CH11357.

ASJC Scopus subject areas

  • General Chemical Engineering
  • General Chemistry

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