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Selected Publications

Dedushko, M. A.; Greiner, M. B.; Downing, A. N.; Coggins, M. K.; *Kovacs, J. A. “Electronic Structure and Reactivity of Dioxygen-Derived Aliphatic Thiolate-Ligated Fe-Peroxo and Fe(IV) Oxo Compounds.” J. Am. Chem. Soc. 2022, 144, 8515-8528

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Poon, P. C. Y.; Dedushko, M. A.; Sun, X.; Yang, G.; Toledo, S.; Hayes, E. C.; Johansen, A. L.; Piquette, M. C.; Rees, J. A.; Stoll, S.; *Rybak-Akimova, E.; *Kovacs, J. A. “How Metal Ion Lewis Acidity and Steric Properties Influence the Barrier to Dioxygen Binding, Peroxo O-O Bond Cleavage, and Reactivity.” J. Am. Chem. Soc. 2019,141,15046-15057

Downing, A. N.; Poon, P. C. Y.; Coggins, M. K.; *Kovacs, J. A. “Influence of Thiolate versus Alkoxide Ligands on the Stability of Crystallographically Characterized Mn(III)-Alkylperoxo Complexes.” J. Am. Chem. Soc. 2021, 143, 6104-6113

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Dedushko, M.; Pikul, J.; *Kovacs, J. A. “Superoxide Oxidation by a Thiolate-Ligated Iron Complex and Anion Inhibition” Inorg. Chem. 2021, 60, 7250-7261.

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Toledo, S.; Poon, P. C. Y.; Gleaves, M.; Rees, J. A.; Kaminsky, W.; *Kovacs, J. A. “Increasing Reactivity by Incorporating 𝞹-Acceptor Ligands into Coordinatively Unsaturated Thiolate-Ligated Iron(II) Complexes” Inorg. Chim. Acta. 2021, 524, 120422

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Poon, P. C. Y.; Dedushko, M. A.; Sun, X.; Yang, G.; Toledo, S.; Hayes, E. C.; Johansen, A. L.; Piquette, M. C.; Rees, J. A.; Stoll, S.; *Rybak-Akimova, E.; *Kovacs, J. A. “How Metal Ion Lewis Acidity and Steric Properties Influence the Barrier to Dioxygen Binding, Peroxo O-O Bond Cleavage, and Reactivity.” J. Am. Chem. Soc. 2019, 141, 15046-15057

Blakely, M. N.; Dedushko, M.; Poon, P. C. Y.; Villar-Acevedo, G.; *Kovacs, J. A. “Formation of a Reactive, Alkyl Thiolate-Ligated FeIII-Superoxo Intermediate Derived from Dioxygen.” J. Am. Chem. Soc. 2019, 141, 1867-1870.

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Dedushko, M.; Schweitzer, D.; Blakely, M. N.; Swartz, R. D.; Kaminsky, W.; *Kovacs, J. A. “Geometric and Electronic Structure of a Crystallographically Characterized Thiolate-Ligated Binuclear Peroxo-Bridged Cobalt(III) Complex” J. Biol. Inorg. Chem. 2019, 24, 919-926.

Leipzig, B. K.; Rees, J.; Kawalska, J. K.; Theisen, R. M.; Kavcic, Matjaz; Chaau Yan Poon, P.; Kaminsky, W.; DeBeer, S.; Bill, E.; *Kovacs, J. A. “How Do Ring Size and π-Donating Thiolate Ligands Affect Redox-Active, α-Imino-N-heterocycle Ligand Activation?” Inorg. Chem. 201857, 1935-1949.

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Acevedo-Villar, G.; Lugo-Mas, P.; Blakely, M. N.; Rees, J. A.; Ganas, A. S.; Hanada, E. M.; Kaminsky, W.; *Kovacs, J. A. “Metal-Assisted Oxygen Atom Addition to an Fe(III)-Thiolate” J. Am. Chem. Soc. 2017, 139, 119-129.

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Rees, J. A.; Bjornsson, R.; Kawalska, J. K.; Lima, F. A.; Schlesier, J.; Sippel, D.; Weyhermuller, T.; *Einsle, O.; *Kovacs, J. A.; *DeBeer, S. “Comparative Electronic Structures of Nitrogenase FeMoco and FeVco” Dalton. Trans. 2017, 46, 2445-2455.

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Kowalska, J. K.; Nayyar, B.; Rees, J. A.; Schiewer, C. E.; Lee, S. C.; Kovacs, J. A.; Meyer, F.; Weyermuller, T.; Otero, E.; DeBeer, S. “Iron L-edge X-ray Absorption and Magnetic Circular Dichroism Studies of Molecular Iron Complexes with Relevance to the FeMoco and FeVco Active Sites of Nitrogenase” Inorg. Chem. 2017, 56, 8147-8158.  
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Brines, L. M.; Coggins, M. K.; Poon, P. C. Y.; Toledo, S.; Kaminsky, W.; Kirk, M. L.; *Kovacs, J. A. “A Water-Soluble Fe(II)-H2O Complex with a Weak O–H Bond Transfers a Hydrogen Atom via an Observable Monomeric Fe(III)-OH.” J. Am. Chem. Soc. 2015, 137, 2253-2264. 
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*Kovacs, J. A. “Tuning the Relative Stability and Reactivity of Manganese Dioxygen and Peroxo Intermediates via Systematic Ligand Modification” Acc. Chem. Res. 2015, 48, 2744-2753.
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Rees, J. A.; Martin-Diaconescu, V.; *Kovacs, J. A.; *DeBeer, S. “X-ray Absorption and Emission Study of Dioxygen Activation by a Small-Molecule Manganese Complex” Inorg. Chem. 2015, 54, 6410-6422.
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Coggins, M. K.; Brines, L. M.; *Kovacs, J. A. “Synthesis and Structural Characterization of a Series of Mn(III)-OR Complexes, Including a Water-Soluble Mn(III)-OH that Promotes Aerobic Hydrogen Atom Transfer.” Inorg. Chem. 2013, 52, 12383-12393.
Coggins, M. K.; Toledo, S.; *Kovacs, J. A. “Isolation and Characterization of an Unsupported, Hydroxo-Bridged Iron(III,III)(μ-OH)2 Diamond Core Derived from Dioxygen,” Inorg. Chem. 2013 , 52, 13325-13331
Coggins, M. K.; Sun, X.; Kwak, Y.; *Solomon, E. I.; *Rybak-Akimova, E.; *Kovacs, J. A. “Characterization of Metastable Intermediates Formed in the Reaction Between a Mn(II) Complex and Dioxygen,  Including a Crystallographic Structure of a Binuclear Mn(III)-Peroxo Species,” J. Am. Chem. Soc. 2013 135, 5631-5640.
Coggins, M. K.; Martin-Diaconescu, V.; DeBeer, S.; *Kovacs, J. A. “Correlation Between Structural, Spectroscopic, and Reactivity Properties Within a Series of Structurally Analogous Metastable Manganese(III)–Alkylperoxo Complexes,” J. Am. Chem. Soc. 2013 135, 4260-4272.
Coggins, M. K.; Toledo, S.; Shaffer, E..; Kaminsky, W.; Shearer,J.; *Kovacs, J. A. “Characterization and Dioxygen Reactivity of a New Series of Coordinatively Unsaturated Thiolate-Ligated Manganese(II) Complexes,” Inorg. Chem. 2012 51, 6633-6644.
Coggins, M. K.; *Kovacs, J. A. “Structural and Spectroscopic Characterization of Metastable Thiolate-Ligated Manganese(III)–Alkylperoxo Species,” J. Am. Chem. Soc. 2011 133, 12470-12473.
Swartz, R. D.; Coggins, M. K.; Kaminsky, W.; *Kovacs, J. A. “Nitrile Hydration by Thiolate- and Alkoxide-Ligated Co-NHase Analogues. Isolation of Co(III)-Amidate and Co(III)-Iminol Intermediates,” J. Am. Chem. Soc. 2011 133, 3954-3963.
Nam, E.; Alokolaro, P. E.; Swartz, R. D.; Gleaves, M. C.; Pikul, J.;  *Kovacs, J. A. “Investigation of the Mechanism of Formation of a Thiolate-Ligated Fe(III)-OOH,” Inorg. Chem2011 50, 1592-1602.
Villar-Acevedo, G.; Nam, E.; Fitch, S.; Benedict, J.;  Freudenthal, J.; Kaminsky, W.; *Kovacs, J. A. “Influence of Thiolate Ligands on Reductive N−O Bond Activation. Probing the O2− Binding Site of a Biomimetic Superoxide Reductase Analogue and Examining the Proton-Dependent Reduction of Nitrite,” J. Am. Chem. Soc. 2011 133, 1419-1427.
Lugo-Mas, P.; Taylor, W.; Schweitzer, D.; Theisen, R. M.; Xu, L.; Shearer, J..; Swartz, R. D.; Gleaves, M. C.; DiPasquale, A.; Kaminsky, W.; *Kovacs, J. A. “Properties of Square-Pyramidal Alkyl−Thiolate FeIII Complexes, Including an Analogue of the Unmodified Form of Nitrile Hydratase,” Inorg. Chem2008 47, 11228-11236.
Brines, L. M.; Shearer, J.; Fender, J. K.; Schweitzer, D.; Shoner, S. C.;  Barnhart, D.; Kaminsky, W.; Lovell, S.; *Kovacs, J. A. “Periodic Trends within a Series of Five-Coordinate Thiolate-Ligated [MII(SMe2N4(tren))]+ (M = Mn, Fe, Co, Ni, Cu, Zn) Complexes, Including a Rare Example of a Stable CuII−Thiolate,” Inorg. Chem2007 46, 9267-9277.
Brines, L. M.; Shearer, J.; Fender, J. K.; Schweitzer, D.; Shoner, S. C.;  Barnhart, D.; Kaminsky, W.; Lovell, S.; *Kovacs, J. A. “Understanding How the Thiolate Sulfur Contributes to the Function of the Non-Heme Iron Enzyme Superoxide Reductase,” Acc. Chem. Res.  2007 40, 501-509.
Kitagawa, T.; Dey, A.; Benedict, J. B.; Kaminsky, W.; Solomon, E.; *Kovacs, J. A. “A Functional Model for the Cysteinate-Ligated Non-Heme Iron Enzyme Superoxide Reductase (SOR),” J. Am. Chem. Soc.  2006 128, 14448-14449.
Lugo-Mas, P.; Dey, A.; Xu, L.; Davin, S. D.; Benedict, J. B.; Kaminsky, W.; Hodgson, K. O.; Hedman, B.; Solomon, E.; *Kovacs, J. A. “How Does Single Oxygen Atom Addition Affect the Properties of an Fe−Nitrile Hydratase Analogue? The Compensatory Role of the Unmodified Thiolate,” J. Am. Chem. Soc.  2006 128, 11211-11221.
Dey, A.; Chow, M.; Taniguchi, K.; Lugo-Mas, P.; Davin, S. D.; Maeda, M.; Kovacs, J. A.; Odaka, M.; *Hodgson, K. O.; *Hedman, B.; *Solomon, E.; “Sulfur K-Edge XAS and DFT Calculations on Nitrile Hydratase:  Geometric and Electronic Structure of the Non-heme Iron Active Site,” J. Am. Chem. Soc.  2006 128, 533-541.
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