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High-frequency and high-field electron paramagnetic resonance (HFEPR): a new spectroscopic tool for bioinorganic chemistry

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Abstract

This minireview describes high-frequency and high-field electron paramagnetic resonance (HFEPR) spectroscopy in the context of its application to bioinorganic chemistry, specifically to metalloproteins and model compounds. HFEPR is defined as frequencies above ~100 GHz (i.e., above W-band) and a resonant field reaching 25 T and above. The ability of HFEPR to provide high-resolution determination of g values of S = 1/2 is shown; however, the main aim of the minireview is to demonstrate how HFEPR can extract spin Hamiltonian parameters [zero-field splitting (zfs) and g values] for species with S > 1/2 with an accuracy and precision unrivalled by other physical methods. Background theory on the nature of zfs in S = 1, 3/2, 2, and 5/2 systems is presented, along with selected examples of HFEPR spectroscopy of each that are relevant to bioinorganic chemistry. The minireview also provides some suggestions of specific systems in bioinorganic chemistry where HFEPR could be rewardingly applied, in the hope of inspiring workers in this area.

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Notes

  1. A 2 B 2 explains (p 155) [4] that this is more properly a ΔM S = 0 transition, as the \( \left\langle {S,M_{\text{S}} } \right| = \left\langle {1, +1} \right| {\text{ and}}\, \left\langle {1, -1} \right|\) states are mixed, so that the transition is better described as \( \left\langle {1, \pm 1} \right| \leftrightarrow \left\langle {1, \pm 1} \right|\), which is favored with B 1 ∥ B 0, than as \( \left\langle {1, \pm 1} \right| \leftrightarrow \left\langle {1, \mp 1} \right|\).

  2. EasySpin is a MATLAB® toolbox for simulating and fitting EPR spectra. EasySpin runs on a variety of operating systems and is available free of charge; see: http://www.easyspin.org/.

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Acknowledgments

The NHMFL is funded by the NSF through Cooperative Agreement DMR 1157490, the State of Florida, and the DOE. We thank Prof. Mahdi M. Abu-Omar and Dr. Scott Hicks, Purdue University, for the [Mn(tpfc)] sample, and Prof. Brian M. Hoffman and Dr. Judith A. Nocek, Northwestern University, for the met-Mb-F sample. The [TptBuNi(NCS)] and [TptBu,NpCoN3] samples originated with the late Dr. S. Trofimenko, University of Delaware. We thank Prof. Timothy A. Jackson, University of Kansas, for helpful comments.

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Authors and Affiliations

  1. Department of Biological, Chemical and Physical Sciences, Roosevelt University, Chicago, IL, 60605, USA

    Joshua Telser

  2. National High Magnetic Field Laboratory (NHMFL), Florida State University, Tallahassee, FL, 32310, USA

    J. Krzystek & Andrew Ozarowski

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  1. Joshua Telser
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  2. J. Krzystek
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  3. Andrew Ozarowski
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Correspondence to Joshua Telser.

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Telser, J., Krzystek, J. & Ozarowski, A. High-frequency and high-field electron paramagnetic resonance (HFEPR): a new spectroscopic tool for bioinorganic chemistry. J Biol Inorg Chem 19, 297–318 (2014). https://doi.org/10.1007/s00775-013-1084-3

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