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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
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
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
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.
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.
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. Chem. 2008 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. Chem. 2007 46, 9267-9277.
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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