@article{c2a697dedb394fd6a64f5609f3205786,
title = "Structural and spectroscopic characterization of an Fe(VI) bis(imido) complex",
abstract = "High-valent iron species are key intermediates in oxidative biological processes, but hexavalent complexes apart from the ferrate ion are exceedingly rare. Here, we report the synthesis and structural and spectroscopic characterization of a stable Fe(VI) complex (3) prepared by facile one-electron oxidation of an Fe(V) bis(imido) (2). Single-crystal x-ray diffraction of 2 and 3 revealed four-coordinate Fe centers with an unusual “seesaw” geometry. 57Fe M{\"o}ssbauer, x-ray photoelectron, x-ray absorption, and electron-nuclear double resonance (ENDOR) spectroscopies, supported by electronic structure calculations, support a low-spin (S = 1/2) d3 Fe(V) configuration in 2 and a diamagnetic (S = 0) d2 Fe(VI) configuration in 3. Their shared seesaw geometry is electronically dictated by a balance of Fe-imido s- and p-bonding interactions.",
author = "Martinez, {Jorge L.} and Lutz, {Sean A.} and Hao Yang and Jiaze Xie and Joshua Telser and Hoffman, {Brian M.} and Veronica Carta and Maren Pink and Yaroslav Losovyj and Smith, {Jeremy M.}",
note = "Funding Information: Funding from the NSF is gratefully acknowledged by J.L.M., S.A.L., and J.M.S. (CHE-1566258) and B.M.H. (MCB-1515981). This material is based upon work supported by the U.S. Department of Energy (DOE), Office of Science, Office of Basic Energy Sciences under award nos. DE-SC0019466 (to J.M.S.) and DE-SC0019342 (to B.M.H.). The XPS instrument at the IU Nanoscale Characterization Facility was funded by the NSF (DMR MRI-1126394). 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 no. 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. Publisher Copyright: {\textcopyright} 2020 American Association for the Advancement of Science. All rights reserved.",
year = "2020",
month = oct,
day = "16",
doi = "10.1126/science.abd3054",
language = "English (US)",
volume = "370",
pages = "356--359",
journal = "Science",
issn = "0036-8075",
publisher = "American Association for the Advancement of Science",
number = "6514",
}