Intermediates and Mechanism in Iron-Catalyzed Cross-Coupling
Sears, J. D.; Neate, P. G. N.; Neidig, M. L.
J. Am. Chem. Soc. 2018, 140 (38), 11872-11883
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Combined Effects of Backbone and N-Substituents on Structure, Bonding, and Reactivity of Alkylated Iron(II)-NHCs
Muñoz, S. B.; Fleischauer, V. E.; Brennessel, W. W.; Neidig, M. L.
Organometallics 2018, 37, 3093-3101
Backbone Dehydrogenation in Pyrrole-Based Pincer Ligands
Krishnan, V. M.; Davis, I.; Baker, T. M.; Curran, D. J.; Arman, H. D.; Neidig, M. L.; Liu, A.; Tonzetich, Z. J.
Inorg. Chem. 2018, 57, 9544-9553
A Pseudotetrahedral Uranium(V) Complex
Tondreau, A. M.; Duignan, T. J.; Stein, B. W.; Fleischauer, V. E.; Autschbach, J.; Batista, E. R.; Boncella, J. M.; Ferrier, M. G.; Kozimor, S. A.; Mocko, V.; Neidig, M. L.; Cary, S. K.; Yang, P.
Inorg. Chem. 2018, 57, 8106-8115
The N-Methylpyrrolidone (NMP) Effect in Iron‐Catalyzed Cross‐Coupling with Simple Ferric Salts and MeMgBr
Muñoz, S. B.; Daifuku, S. L.; Sears, J. D.; Baker, T. M.; Carpenter, S. H.; Brennessel, W. W.; Neidig, M. L.
Chem. Int. Ed. 2018, 57, 6496
NHC and Nucleophile Chelation Effects on Reactive Iron(II) Species in Alkyl-Alkyl Cross-Coupling
Fleischauer, V. E.; Muñoz III, S. B.; Neate, P. G. N.; Brennessel, W. W.; Neidig, M. L.
Chem. Sci. 2018, 9, 1878-1891
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Multinuclear Iron-Phenyl Species in Reactions of Simple Iron Salts with PhMgBr: Identification of Fe4(μ-Ph)6(THF)4
Carpenter, S. H.; Baker, T. M.; Muñoz, S. B.; Brennessel, W. W.; Neidig, M. L.
Chem. Sci. 2018, 9, 7931-7939
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Nitric Oxide Activation Facilitated by Cooperative Multimetallic Electron Transfer within an Iron-Functionalized Polyoxovanadate-Alkoxide Cluster
Li, F.; Meyer, R. L.; Carpenter, S. H.; VanGelder, L. E.; Nichols, A. W.; Machan, C. W.; Neidig, M. L.; Matson, E.
Chem. Sci. 2018, 9, 6379-6389
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Crystal structures of two new six-coordinate iron(III) complexes with 1,2-bis(diphenylphosphane) ligands
McNeil, D. L., Beckford, D. J., Kneebone, J. L., Carpenter, S. H., Brennessel, W. W., & Neidig, M. L.
Acta Crystallogr. E: Crystallogr. Commun. 2018, 74, 803-807
A Physical-Inorganic Approach for the Elucidation of Active Iron Species and Mechanism in Iron-Catalyzed Cross-Coupling
Carpenter, S. H.; Neidig, M. L.
Isr. J. Chem. 2017, 57, 1106-1116
Iron(II) Complexes of a Hemilabile SNS Amido Ligand: Synthesis, Characterization, and Reactivity
Das, U. K.; Daifuku, S. L.; Iannuzzi, T. E.; Gorelsky, S. I.; Korobkov, I.; Gabidullin, B.; Neidig, M. L.; Baker, R. T.
Inorg. Chem. 2017, 56, 13766-13776
A Combined Probe-Molecule, Mössbauer, Nuclear Resonance Vibrational Spectroscopy, and Density Functional Theory Approach for Evaluation of Potential Iron Active Sites in an Oxygen Reduction Reaction Catalyst
Kneebone, J. L.; Daifuku, S. L.; Kehl, J. A.; Wu, G.; Chung, H. T.; Hu, M. Y.; Alp, E. E.; More, K. L.; Zelenay, P.; Holby, E. F.; Neidig, M. L.
J. Phys. Chem. C. 2017, 121, 16283-16290
Polyoxovanadate-Alkoxide Clusters as a Redox Reservoir for Iron
Li, F.; Carpenter, S. H.; Higgins, R. F.; Hitt, M. G.; Brennessel, W. W.; Ferrier, M. G.; Cary, S. K.; Lezama-Pacheco, J. S.; Wright, J. T.; Stein, B. W.; Shores, M. P.; Neidig, M. L.; Kozimor, S. A.; Matson, E. M.
Inorg. Chem. 2017, 56, 7065-7080
Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides
Kneebone, J. L.; Brennessel, W. W.; Neidig, M. L.
J. Am. Chem. Soc. 2017, 139, 6988-7003
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Transition-Metal-Free Formation of C-E Bonds (E = C, N, O, S) and Formation of C-M Bonds (M = Mn, Mo) from N -Heterocyclic Carbene Mediated Fluoroalkene C-F Bond Activation
Leclerc, M. C.; Gabidullin, B. M.; Da Gama, J. G.; Daifuku, S. L.; Iannuzzi, T. E.; Neidig, M. L.; Baker, R. T.
Organometallics 2017, 36, 849-857
Magnetic Circular Dichroism and Density Functional Theory Studies of Electronic Structure and Bonding in Cobalt(II)-N-Heterocyclic Carbene Complexes
Iannuzzi, T. E.; Gao, Y.; Baker, T. M.; Deng, L.; Neidig, M. L.
Dalton Trans. 2017, 46, 13290-13299
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Magnetic Circular Dichroism of UCl6− in the Ligand-to-Metal Charge-Transfer Spectral Region
Gendron, F.; Fleischauer, V. E.; Duignan, T. J.; Scott, B. L.; Löble, M. W.; Cary, S. K.; Kozimor, S. A.; Bolvin, H.; Neidig, M. L.; Autschbach, J.
Phys. Chem. Chem. Phys. 2017, 19, 17300-17313
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Magnetic Circular Dichroism of UCl6− in the Ligand-to-Metal Charge-Transfer Spectral Region
Gendron, F.; Fleischauer, V. E.; Duignan, T. J.; Scott, B. L.; Löble, M. W.; Cary, S. K.; Kozimor, S. A.; Bolvin, H.; Neidig, M. L.; Autschbach, J.
Phys. Chem. Chem. Phys. 2017, 19, 17300-17313
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Magnetic Circular Dichroism Studies of Iron(II) Binding to Human Calprotectin
Baker, T. M.; Nakashige, T. G.; Nolan, E. M.; Neidig, M. L.
Chem. Sci. 2017, 8, 1369-1377
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Magnetic Circular Dichroism and Density Functional Theory Studies of Iron(II)-Pincer Complexes: Insight into Electronic Structure and Bonding Effects of Pincer N-Heterocyclic Carbene Moieties
Baker, T. M.; Mako, T. L.; Vasilopoulos, A.; Li, B.; Byers, J. A.; Neidig, M. L.
Organometallics 2016, 35, 3692-3700
Resident Holes and Electrons at Organic/Conductor and Organic/Organic Interfaces: An Electron Paramagnetic Resonance Investigation
Zhang, C.; Daifuku, S. L.; Neidig, M. L.; Marchetti, A. P.
Org. Electron. 2016, 37, 379-385
Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes
Lv, H.; Ruberu, T. P. A.; Fleischauer, V. E.; Brennessel, W. W.; Neidig, M. L.; Eisenberg, R.
J. Am. Chem. Soc. 2016, 138, 11654-11663
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Manipulating Magneto-Optic Properties of a Chiral Polymer by Doping with Stable Organic Biradicals
Lim, C.-K.; Cho, M. J.; Singh, A.; Li, Q.; Kim, W. J.; Jee, H. S.; Fillman, K. L.; Carpenter, S. H.; Neidig, M. L.; Baev, A.; Swihart, M. T.; Prasad, P. N.
Nano Lett. 2016, 16, 5451-5455
Isolation, Characterization, and Reactivity of Fe8Me12- : Kochi's S = 1/2 Species in Iron-Catalyzed Cross-Couplings with MeMgBr and Ferric Salts
Muñoz, S. B.; Daifuku, S. L.; Brennessel, W. W.; Neidig, M. L.
J. Am. Chem. Soc. 2016, 138, 7492-7495
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Mononuclear, Dinuclear, and Trinuclear Iron Complexes Featuring a New Monoanionic SNS Thiolate Ligand
Das, U. K.; Daifuku, S. L.; Gorelsky, S. I.; Korobkov, I.; Neidig, M. L.; Le Roy, J. J.; Murugesu, M.; Baker, R. T.
Inorg. Chem. 2016, 55, 987-997
Electronic Structure and Bonding in Iron(II) and Iron(I) Complexes Bearing Bisphosphine Ligands of Relevance to Iron-Catalyzed C-C Cross-Coupling
Kneebone, J. L.; Fleischauer, V. E.; Daifuku, S. L.; Shaps, A. A.; Bailey, J. M.; Iannuzzi, T. E.; Neidig, M. L.
Inorg. Chem. 2016, 55, 272-282
Facile Hydrogen Atom Transfer to Iron(III) Imido Radical Complexes Supported by a Dianionic Pentadentate Ligand
Spasyuk, D. M.; Carpenter, S. H.; Kefalidis, C. E.; Piers, W. E.; Neidig, M. L.; Maron, L.
Chem. Sci. 2016, 7, 5939-5944
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Possible Demonstration of a Polaronic Bose-Einstein(-Mott) Condensate in UO2(+x) by Ultrafast THz Spectroscopy and Microwave Dissipation
Conradson, S. D.; Gilbertson, S. M.; Daifuku, S. L.; Kehl, J. A.; Durakiewicz, T.; Andersson, D. A.; Bishop, A. R.; Byler, D. D.; Maldonado, P.; Oppeneer, P. M.; Valdez, J. A.; Neidig, M. L.; Rodriguez, G.
Sci Rep 2015, 5, 15278
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Iron(II) Active Species in Iron-Bisphosphine Catalyzed Kumada and Suzuki-Miyaura Cross-Couplings of Phenyl Nucleophiles and Secondary Alkyl Halides
Daifuku, S. L.; Kneebone, J. L.; Snyder, B. E. R.; Neidig, M. L.
J. Am. Chem. Soc. 2015, 137, 11432-11444
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Linear and T-Shaped Iron(I) Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis and Structure Characterization
Ouyang, Z.; Du, J.; Wang, L.; Kneebone, J. L.; Neidig, M. L.; Deng, L.
Inorg. Chem. 2015, 54, 8808-8816
Ambivalent Binding between a Radical-Based Pincer Ligand and Iron
Harriman, K. L. M.; Leitch, A. A.; Stoian, S. A.; Habib, F.; Kneebone, J. L.; Gorelsky, S. I.; Korobkov, I.; Desgreniers, S.; Neidig, M. L.; Hill, S.; Murugesu, M.; Brusso, J. L.
Dalton Trans. 2015, 44, 10516-10523
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How Innocent Are Potentially Redox Non-Innocent Ligands? Electronic Structure and Metal Oxidation States in Iron-PNN Complexes as a Representative Case Study
Butschke, B.; Fillman, K. L.; Bendikov, T.; Shimon, L. J. W.; Diskin-Posner, Y.; Leitus, G.; Gorelsky, S. I.; Neidig, M. L.; Milstein, D.
Inorg. Chem. 2015, 54, 4909-4926
A Combined Magnetic Circular Dichroism and Density Functional Theory Approach for the Elucidation of Electronic Structure and Bonding in Three- and Four-Coordinate Iron(II)-N-Heterocyclic Carbene Complexes
Fillman, K. L.; Przyojski, J. A.; Al-Afyouni, M. H.; Tonzetich, Z. J.; Neidig, M. L.
Chem. Sci. 2015, 6, 1178-1188
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Crystal structure of a third polymorph of tris(acetylacetonato-κ2O,O')iron(III)
Baker, T.M., Howard, K.M., Brennessel, W.W., Neidig, M.L.
Acta Crystallogr. E: Crystallogr. Commun. 2015, 71, m228-m229
Isolation and Characterization of a Tetramethyliron(III) Ferrate: An Intermediate in the Reduction Pathway of Ferric Salts with MeMgBr
Al-Afyouni, M. H.; Fillman, K. L.; Brennessel, W. W.; Neidig, M. L.
J. Am. Chem. Soc. 2014, 136, 15457-15460
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Two- and Three-Coordinate Formal Iron(I) Compounds Featuring Monodentate Aminocarbene Ligands
Mo, Z.; Ouyang, Z.; Wang, L.; Fillman, K. L.; Neidig, M. L.; Deng, L.
Org. Chem. Front. 2014, 1, 1040-1044
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Two- and Three-Coordinate Formal Iron(I) Compounds Featuring Monodentate Aminocarbene Ligands
Mo, Z.; Ouyang, Z.; Wang, L.; Fillman, K. L.; Neidig, M. L.; Deng, L.
Org. Chem. Front. 2014, 1, 1040-1044
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Iron Phosphine Catalyzed Cross-Coupling of Tetraorganoborates and Related Group 13 Nucleophiles with Alkyl Halides
Bedford, R. B.; Brenner, P. B.; Carter, E.; Clifton, J.; Cogswell, P. M.; Gower, N. J.; Haddow, M. F.; Harvey, J. N.; Kehl, J. A.; Murphy, D. M.; Neeve, E. C.; Neidig, M. L.; Nunn, J.; Snyder, B. E. R.; Taylor, J.
Organometallics 2014, 33, 5767-5780
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A Combined Mössbauer, Magnetic Circular Dichroism, and Density Functional Theory Approach for Iron Cross-Coupling Catalysis: Electronic Structure, In Situ Formation, and Reactivity of Iron-Mesityl-Bisphosphines
Daifuku, S. L.; Al-Afyouni, M. H.; Snyder, B. E. R.; Kneebone, J. L.; Neidig, M. L.
J. Am. Chem. Soc. 2014, 136 (25), 9132-9143
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Flexible Binding of PNP Pincer Ligands to Monomeric Iron Complexes
Fillman, K. L.; Bielinski, E. A.; Schmeier, T. J.; Nesvet, J. C.; Woodruff, T. M.; Pan, C. J.; Takase, M. K.; Hazari, N.; Neidig, M. L.
Inorg. Chem. 2014, 53, 6066-6072
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Iron Dicarbonyl Complexes Featuring Bipyridine-Based PNN Pincer Ligands with Short Interpyridine C-C Bond Lengths: Innocent or Non-Innocent Ligand?
Zell, T.; Milko, P.; Fillman, K. L.; Diskin-Posner, Y.; Bendikov, T.; Iron, M. A.; Leitus, G.; Ben-David, Y.; Neidig, M. L.; Milstein, D.
Chem. Eur. J. 2014, 20, 4403-4413
Reactivity of (NHC)2FeX2 Complexes toward Arylborane Lewis Acids and Arylboronates
Dunsford, J. J.; Cade, I. A.; Fillman, K. L.; Neidig, M. L.; Ingleson, M. J.
Organometallics 2014, 33, 370-377
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Direct Observation of ICT Cations at the HTL/Transparent Semiconductor Interface
Daifuku, S. L.; Favaro, C.; Marchetti, A. P.; Neidig, M. L.
Org. Chem. Front. 2014, 15, 3761-3765
Efficient Nazarov Cyclization/Wagner-Meerwein Rearrangement Terminated by a CuII-Promoted Oxidation: Synthesis of 4-Alkylidene Cyclopentenones
Lebœuf, D.; Theiste, E.; Gandon, V.; Daifuku, S. L.; Neidig, M. L.; Frontier, A. J.
Chem. Eur. J. 2013, 19, 4842-4848
Covalency in F-Element Complexes
Neidig, M. L.; Clark, D. L.; Martin, R. L.
Coord. Chem. Rev. 2013, 394-406