The Neidig Group

Publications at Rochester

74. Isolation and Characterization of a Homoleptic Tetramethylcobalt(III) Distorted Square-Planar Complex
Stephanie H. Carpenter, William W. Brennessel, and Michael L. Neidig*
Organometallics 2019, Article ASAP

DOI: 10.1021/acs.organomet.9b00387


73. Insight into the Electronic Structure of Formal Lanthanide(II) Complexes using Magnetic Circular Dichroism Spectroscopy
Valerie E. Fleischauer, Gaurab Ganguly, David H. Woen, Nikki J. Wolford, William J. Evans*, Jochen Autschbach* and Michael L. Neidig*
Organometallics 2019, 38, 3124-3131

DOI: 10.1021/acs.organomet.9b00315


72. Atom-Economical Ni-Catalyzed Diborylative Cyclization of Enynes: Preparation of Unsymmetrical Diboronates
Natalia Cabrera-Lobera, M. Teresa Quirós, William W. Brennessel, Michael L. Neidig, Elena Buñuel* and Deigo J. Cárdenas*
Org. Lett. 2019, 21, 6552-6556

DOI: 10.1021/acs.orglett.9b02485


71. Identification and Reactivity of Cyclometalated Iron(II) Intermediates in Triazole-Directed Iron-Catalyzed C–H Activation
Theresa E. Boddie, Stephanie H. Carpenter, Tessa M. Baker, Joshua C. DeMuth, Gianpiero Cera, William W. Brennessel, Lutz Ackermann, and Michael L. Neidig*
J. Am. Chem. Soc. 2019, 141, 12338-12345

DOI: 10.1021/jacs.9b05269


70. Mechanism of the Bis(imino)pyridine-Iron-Catalyzed Hydromagnesiation of Styrene Derivatives
Peter G. N. Neate, Mark D. Greenhalgh, William W. Brennessel, Stephen P. Thomas*, and Michael L. Neidig*
J. Am. Chem. Soc. 2019, 141, 10099-10108

DOI: 10.1021/jacs.9b04869


69. Homoleptic Aryl Complexes of Uranium (IV)
Nikki J. Wolford, Dumitru‐Claudiu Sergentu, William W. Brennessel, Jochen Autschbach*, and Michael L. Neidig*
Angew. Chem. Int. Ed. 2019, 58, 10266-10270

DOI: 10.1126/science.aaw6102


68. Terminal coordination of diatomic boron monofluoride to iron
Myles J. Drance, Jeffrey D. Sears, Anthony M. Mrse, Curtis E. Moore, Arnold L. Rheingold, Michael L. Neidig, Joshua S. Figueroa*
Science 2019, 363, 1203-1205

DOI: 10.1002/anie.201905423


67. Crystal structure of bromido­penta­kis­(tetra­hydro­furan-κO)magnesium bis­[1,2-bis­(di­phenyl­phosphan­yl)benzene-κ2 P,P′]cobaltate(−1) tetra­hydro­furan disolvate
Patience B. Girigiri, Stephanie H. Carpenter, William W.Brennessel, And Michael L. Neidig*
Acta Crystallogr E Crystallogr Commun. 2019, 75, 304-307

DOI: 10.1107/S2056989019001671


66. The Effect of Beta-Hydrogen Atoms on Iron Speciation in Cross-Coupling with Simple Iron Salts and Alkyl Grignard Reagents
Jeffrey D. Sears, Dr. Salvador B. Muñoz III, Dr. Stephanie L. Daifuku, Ari A. Shaps, Stephanie H. Carpenter, Dr. William W. Brennessel, Prof. Michael L. Neidig*
Angew. Chem. Int. Ed. 2019, 58, 2769-2773

DOI: 10.1002/anie.201813578


65. Development and Evolution of Mechanistic Understanding in Iron-Catalyzed Cross-Coupling
Michael L. Neidig*, Stephanie H. Carpenter, Daniel J. Curran, Joshua C. DeMuth, Valerie E. Fleischauer, Theresa E. Iannuzzi, Peter G. N. Neate, Jeffrey D. Sears, and Nikki J. Wolford
Acc. Chem. Res. 2019, 52, 140-150

DOI: 10.1021/acs.accounts.8b00519


64. Reactive intermediates and mechanism in iron-catalyzed cross-coupling
Kneebone, J. K.; Sears, J. D.; Neidig, M. L.
Non-Noble Metal Catalysis, R.J.M. Klein Gebbink, M.-E. Moret, Eds., Wiley-VCH: Weinheim, 2019, 265-295

DOI: 10.1002/9783527699087.ch11


63. Synthesis and characterization of a sterically encumbered homoleptic tetraalkyliron(III) ferrate complex
Jeffrey D. Sears, Salvador B. Muñoz III, Maria Camila AguileraCuenca, William W. Brennessel, Michael L. Neidig*
Polyhedron 2019, 158, 91-96

DOI: 10.1016/j.poly.2018.10.041


62. Intermediates and Mechanism in Iron-Catalyzed Cross-Coupling
Jeffrey D. Sears, Peter G. N. Neate, and Michael L. Neidig*
J. Am. Chem. Soc. 2018, 140, 11872-11883

DOI: 10.1021/jacs.8b06893


61. Combined Effects of Backbone and N-Substituents on Structure, Bonding, and Reactivity of Alkylated Iron(II)-NHCs
Salvador B. Muñoz, III, Valerie E. Fleischauer, William W. Brennessel, and Michael L. Neidig*
Organometallics 2018, 37, 3093-3101

DOI: 10.1021/acs.organomet.8b00466


60. Multinuclear iron–phenyl species in reactions of simple iron salts with PhMgBr: identification of Fe4(μ-Ph)6(THF)4 as a key reactive species for cross-coupling catalysis
Stephanie H. Carpenter, Tessa M. Baker, Salvador B. Muñoz III, William W. Brennessel and Michael L. Neidig*
Chem. Sci. 2018, 9, 7931-7939

DOI: 10.1039/C8SC02915F


59. Backbone Dehydrogenation in Pyrrole-Based Pincer Ligands
V. Mahesh Krishnan, Ian Davis, Tessa M. Baker, Daniel J. Curran, Hadi D. Arman, Michael L. Neidig, Aimin Liu, and Zachary J. Tonzetich
Inorg. Chem. 2018, 57, 9544-9553

DOI: 10.1021/acs.inorgchem.8b01643


58. Nitric Oxide Activation Facilitated by Cooperative Multimetallic Electron Transfer within an Iron-Functionalized Polyoxovanadate-Alkoxide Cluster
Feng Li, Rachel L. Meyer, Stephanie H. Carpenter, Lauren E. VanGelder, Asa. W. Nichols, Charles. W. Machan, Michael L. Neidig, and Ellen M. Matson
Chem. Sci. 2018, 9, 6379-6389

DOI: 10.1039/C8SC00987B


57. A Pseudotetrahedral Uranium(V) Complex
Aaron M. Tondreau, Thomas J. Duignan, Benjamin W. Stein, Valerie E. Fleischauer, Jochen Autschbach, Enrique R. Batista, James M. Boncella, Maryline G. Ferrier, Stosh A. Kozimor, Veronika Mocko, Michael L. Neidig, Samantha K. Cary, and Ping Yang
Inorg. Chem. 2018, 57, 8106-8115

DOI: 10.1021/acs.inorgchem.7b03139


56. Crystal structures of two new six-coordinate iron(III) complexes with 1,2-bis(diphenylphosphane) ligands
Derek L. McNeil Jr., Daihlia J. Beckford, Jared L. Kneebone, Stephanie H. Carpenter, William W. Brennessel and Michael L. Neidig
Acta Cryst. 2018, E74, 803-807

DOI: 10.1107.S2056989018006898


55. The N-Methylpyrrolidone (NMP) Effect in Iron-Catalyzed Cross-Coupling with Simple Ferric Salts and MeMgBr
Salvador B. Muñoz III, Stephanie L. Daifuku, Jeffrey D. Sears, Tessa M. Baker, Stephanie H. Carpenter, William W. Brennessel and Michael L. Neidig
Angew. Chem. Int. Ed. 2018, 57, 6496-6500

DOI: 10.1002/anie.201802087


54. NHC and nucleophile chelation effects on reactive iron(II) species in alkyl–alkyl cross-coupling
Valerie E. Fleischauer, Salvador B. Muñoz III, Peter G. N. Neate, William W. Brennessel, and Michael L. Neidig
Chem. Sci. 2018, 9, 1878-1891

DOI: 10.1039/C7SC04750A


53. Iron(II) Complexes of a Hemilabile SNS Amido Ligand: Synthesis, Characterization, and Reactivity
Uttam K. Das, Stephanie L. Daifuku, Theresa E. Iannuzzi, Serge I. Gorelsky, Ilia Korobkov, Bulat Gabidullin, Michael L. Neidig, and R. Tom Baker
Inorg. Chem. 2017, 56, 13766-13776

DOI: 10.1021/acs.inorgchem.7b01802


52. A Physical-Inorganic Approach for the Elucidation of Active Iron Species and Mechanism in Iron-Catalyzed Cross-Coupling
Stephanie H. Carpenter, and Michael L. Neidig
Isr. J. Chem. 2017, 57, 1106-1116

DOI: 10.1002/ijch.201700036


51. Magnetic Circular Dichroism and Density Functional Theory Studies of Electronic Structure and Bonding in Cobalt(II)-N-Heterocyclic Carbene Complexes
Theresa E. Iannuzzi, Yafei Gao, Tessa M. Baker, Liang Deng, and Michael L. Neidig
Dalton Trans. 2017, 46, 13290-13299

DOI: 10.1039/C7DT0178K


50. 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
Jared L. Kneebone, Stephanie L. Daifuku, Jeffrey A. Kehl, Gang Wu, Hoon T. Chung, Michael Y. Hu, E. Ercan Alp, Karren L. More, Plotr Zelenay, Edward F. Holby, and Michael L. Neidig
J. Phys. Chem. C 2017, 121, 16283-16290

DOI: 10.1021/acs.jpcc.7b03779


49. Polyoxovanadate-Alkoxide Clusters as a Redox Reservoir for Iron
Feng Li, Stephanie H. Carpenter, Robert F. Higgins, Mark G. Hitt, William W. Brennessel, Maryline G. Ferrier, Samantha K. Cary, Juan S. Lezama-Pacheco, Joshua T. Wright, Benjamin W. Stein, Matthew P. Shores, Michael L. Neidig, Stosh A. Kozimor, and Ellen M. Matson
Inorg. Chem. 2017, 56, 7065-7080

DOI: 10.1021/acs.inorgchem.7b00650


48. Magnetic Circular Dichroism of UCl6- in the Ligand-to-Metal Charge-Transfer Specral Region
Frédéric Gendron, Valerie E. Fleischauer, Thomas J. Duignan, Brian L. Scott, Matthias W. Löble, Smantha K. Cary, Stosh A. Kozimor, Hélène Bolvin, Michael L. Neidig, and Jochen Autschbach
Phys. Chem. Chem. Phys. 2017, 19, 17300-17313

DOI: 10.1039/C7CP02572F


47. Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides
Jared L. Kneebone, William W. Brennessel, and Michael L. Neidig
J. Am. Chem. Soc. 2017, 139, 6988-7003

DOI: 10.1021/jacs.7b02363


46. 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
Matthew C. Leclerc, Bulat M. Gabidullin, Jason G. Da Gama, Stephanie L. Daifuku, Theresa E. Iannuzzi, Michael L. Neidig, and R. Tom Baker
Organometallics 2017, 36, 849-857

DOI: 10.1021/acs.organomet.6b00908


45. Magnetic circular dichroism studies of iron(II) binding to human calprotectin
Tessa M. Baker, Toshiki G. Nakashige, Elizabeth M. Nolan, and Michael L. Neidig
Chem. Sci. 2017, 8, 1369-1377

DOI: 10.1039/C6SC03487J


44. 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
Tessa M. Baker, Teresa L. Mako, Aristidis Vasilopoulos, Bo Li, Jeffery A. Byers, and Michael L. Neidig
Organometallics 2016, 35, 3692–3700

DOI: 10.1021/acs.organomet.6b00651


43. Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes
Hongjin Lv, T. Purnima A. Ruberu, Valerie E. Fleischauer, William W. Brennessel, Michael L. Neidig, and Richard Eisenberg
J. Am. Chem. Soc. 2016, 138, 11654–11663

DOI: 10.1021/jacs.6b05040


42. Manipulating Magneto-Optic Properties of a Chiral Polymer by Doping with Stable Organic Biradicals
Chang-Keun Lim, Min Ju Cho, Ajay Singh, Qi Li, Won Jin Kim, Hong Sub Jee, Kathlyn L. Fillman, Stephanie H. Carpenter, Michael L. Neidig, Alexander Baev, Mark T. Swihart, and Paras N. Prasad
Nano Lett. 2016, 16, 5451–5455

DOI: 10.1021/acs.nanolett.6b01874


41. Facile Hydrogen Atom Transfer to Iron(III) Imido Radical Complexes Supported by a Dianionic Pentadentate Ligand
Denis M. Spasyuk, Stephanie H. Carpenter, Christos E. Kefalidis, Warren E. Piers, Michael L. Neidig, and Laurent Maron
Chem. Sci. 2016, 7, 5939-5944

DOI: 10.1039/C6SC01433J


40. Resident Holes and Electrons at Organic/Conductor and Organic/Organic Interfaces: An Electron Paramagnetic Resonance Investigation
Chen Zhang, Stephanie L. Daifuku, Michael L. Neidig, and Alfred P. Marchetti
Org. Electron. 2016, 37, 379-385

DOI: 10.1016/j.orgel.2016.07.001


39. Isolation, Characterization, and Reactivity of Fe8Me12-: Kochi's S = 1/2 Species in Iron-Catalyzed Cross-Couplings with MeMgBr and Ferric Salts
Salvador B. Muñoz III, Stephanie L. Daifuku, William W. Brennessel, and Michael L. Neidig
J. Am. Chem. Soc., 2016, 138, 7492-7495



38. Mononuclear, Dinuclear, and Trinuclear Iron Complexes Featuring a New Monoanionic SNS Thiolate Ligand.
Uttam K. Das, Stepahnie L. Daifuku, Serge I. Gorelsky, Ilia Korobkov, Michael L. Neidig, Jennifer J. Le Roy, Muralee Murugesu, and R. Tom Baker
Inorg. Chem., 2016, 55, 987-997



37. Electronic Structure and Bonding in Iron(II) and Iron(I) Complexes Bearing Bisphosphine Ligands of Relevance to Iron-Catalyzed C–C Cross-Coupling
Jared L. Kneebone, Valerie E. Fleischauer, Stephanie L. Daifuku, Ari A. Shaps, Joseph M. Bailey, Theresa E. Iannuzzi, and Michael L. Neidig
Inorg. Chem., 2016, 55, 272-282



36. Crystal Structure of a Third Polymorph of tris(acetylacetonato-κ2O,O')iron(III)
Tessa M. Baker, Kevin M. Howard, William W. Brennessel, and Michael L. Neidig
Acta Cryst. 2015, E71, m228-m229



35. Possible Demonstration of a Polaronic Bose-Einstein(-Mott) Condenstate in UO2(+x) by Ultrafast THz Spectroscopy and Microwave Dissipation
Steven D. Conradson, Steven M.Gilbertson, Stephanie L. Daifuku, Jeffery A. Kehl, Tomasz Durakiewicz, David A. Anderson, Alan R. Bishop, Darrin D. Byler, Pablo Maldonado, Peter M. Oppeneer, James A. Valdez, Michael L. Neidig, and George Rodirguez
Scientific Reports 2015, 5, 15278



34. Iron(II) active species in iron-bisphosphine catalyzed Kumada and Suzuki-Miyaura cross-couplings of phenyl nucleophiles and secondary alkyl halides
Stephanie L. Daifuku, Jared L. Kneebone, Benjamin E. R. Snyder, and Michael L. Neidig
J. Am. Chem. Soc. 2015, 137, 11432-11444

DOI: 10.1021/jacs.5b06648


33. Linear and T-shaped iron(I) complexes supported by N-heterocyclic carbene ligands: Synthesis and strucutre characterization
Zhenwu Ouyang, Jingzhen Du, Lei Wang, Jared L. Kneebone, Michael L. Neidig, and Liang Deng
Inorg. Chem. 2015, 54, 8808-8816

DOI: 10.1021/acs.inorgchem.5b01522


32. Ambivalent binding between a radical-based pincer ligand and iron
Katie L. M. Harriman, Alicea A. Leitch, Sebastian A. Stoian, Fatemah Habib, Jared L. Kneebone, Serge I. Gorelsky, Ilia Korobkov, Serge Desgreniers, Michael L. Neidig, Stephen Hill, Muralee Murugesu, and Jaclyn L. Brusso
Dalton Trans. 2015, 44, 10516-10523

DOI: 10.1039/C5DT01374G


31. How innocent are potentially redox non-innocent ligands? Electronic structure and metal oxidation states in iron-PNN complexes as a representative case study
Burkhard Butschke, Kathlyn L. Fillman, Tatyana Bendikov, Linda J. W. Shimon, Yael Diskin-Posner, Gregory Leitus, Serge I. Gorelsky, Michael L. Neidig, and David Milstein
Inorg. Chem. 2015, 54, 4909-4926

DOI: 10.1021/acs.inorgchem.5b00509


30. A combined magetic circular dichroism and density functional thoery approach for the elucidation of electronic structure and bonding in three- and four- coordinate iron(II)-N-heterocyclic carbene complexes
Kathlyn L. Fillman, Jacob A. Przyojski, Malik H. Al-Afyouni, Zachary J. Tonzetich, and Michael L. Neidig
Chem. Sci. 2015, 6, 1178-1188

DOI: 10.1039/C4SC02791D


29. Isolation and characterization of a tetramethyliron(III) ferrate: An intermediate in the reduction pathway of ferric salts with MeMgBr
Malik H. Al-Afyouni, Kathlyn L. Fillman, William W. Brennessel, and Michael L. Neidig
J. Am. Chem. Soc. 2014, 136, 15457-15460

DOI: 10.1021/ja5080757


28. Direct observation of ICT cations at the HTL/transparent semiconductor interface
Stephanie L. Daifuku, Chris Favaro, Alfred P. Marchetti, and Michael L. Neidig
Org. Electron. 2014, 15, 3761-3765

DOI: 10.1016/j.orgel.2014.10.027


27. Iron-phosphine catalyzed cross-coupling of tetraorganoborates and related group 13 nucleophiles with alkyl halides
Robin B. Bedford, Peter B. Brenner, Emma Carter, Jamie Clifton, Paul M. Cogswell, Nicholas J. Gower, Mairi F. Haddow, Jeremy N. Harvey, Jeffrey A. Kehl, Damien M. Murphy, Emily C. Neeve, Michael L. Neidig, Joshua Nunn, Benjamin E. R. Synder, and Joseph Taylor
Organometallics 2014, 33, 5767-5780

DOI: 10.1021/om500518r


26. Two- and three-coordinate formal iron(I) compounds featuring monodentate aminocarbene ligands
Zhenbo Mo, Zhenwu Ouyang, Lei Wang, Kathlyn L. Fillman, Michael L. Neidig, and Liang Deng
Org. Chem. Front. 2014, 1, 1040-1044

DOI: 10.1039/C4QO00175C


25. 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
Stephanie L. Daifuku, Malik H. Al-Afyouni, Benjamin E. R. Synder, Jared L. Kneebone, and Michael L. Neidig
J. Am. Chem. Soc. 2014, 136, 9132-9143

DOI: 10.1021/ja503596m


24. Flexible binding of PNP pincer ligands to monomeric iron complexes
Kathlyn L. Fillman, Elizabeth A. Bielinski, Timothy J. Schmeier, Jared C. Nesvet, Tessa M. Woodruff, Cassie J. Pan, Michael K. Takase, Nilay Hazari, and Michael L. Neidig
Inorg. Chem. 2014, 53, 6066-6072

DOI: 10.1021/ic5004275


23. Iron dicarbonyl complexes featuring bipyridine-based PNN pincer ligands with short interpyridine C-C bond lengths: Innocent or non-innocent ligand?
Thomas Zell, Petr Milko, Kathlyn L. Fillman, Yael Diskin-Posner, Tatyana Bendikov, Mark A. Iron, Gregory Leitus, Yehoshoa Ben-David, Michael L. Neidig, and David Milstein
Chem. Eur. J. 2014, 20, 4403-4413

DOI: 10.1002/chem.201304631


22. Reactivity of (NHC)2FeX2 complexes toward arylborane Lewis acids and arylboronates
Jay J. Dunsford, Ian A. Cade, Kathlyn L. Fillman, Michael L. Neidig, and Michael J. Ingleson
Organometallics 2014, 33, 370-377

DOI: 10.1021/om401105k


21. Efficient Nazarov cyclization/Wagner-Meerwein rearrangement terminated by a Cu(II)-promoted oxidation: Synthesis of 4-alkylidene cyclopentanones
David Lebœuf, Eric Theiste, Vincent Gandon, Stephanie L. Daifuku, Michael L. Neidig, Alison J. Frontier
Chem. Eur. J. 2013, 19, 4842-4848

DOI: 10.1002/chem.201203396


20. Covalency in f-element complexes
Michael L. Neidig, David L. Clark, and Richard L. Martin
Coord. Chem. Rev. 2013, 257, 394-406

DOI: 10.1016/j.ccr.2012.04.029

Publications before Rochester

19. Activation of α-keto acid-dependent dioxygenases: Application of an {FeNO}7/{FeO2}8 methodology for characterizing the initial steps of O2 activation
Diebold, A. R.; Brown-Marshall, C. D.; Neidig, M. L.; Brownlee, J. M.; Moran, G. R.; Solomon E. I.
J. Am. Chem. Soc. 2011, 133, 18148-18160

18. Mechanism of the decomposition of aqueous hydrogen peroxide over hetergeneous TiSBA15 and TS-1 selective oxidation catalysts: Insights from spectroscopic and density functional theory studies
Yoon, C. W.; Hirsekorn, K. F.; Neidig, M. L.; Yang, X.; Tilley, T.D.
ACS Catal. 2011, 1, 1665-1678

17. Ag K-edge EXAFS analysis of DNA-templated fluorescent silver nanoclusters: Insight into the structural origins of emission tuning by DNA sequence variations
Neidig, M. L.; Sharma, J.; Yeh, H.-C.; Martinez, J. S.; Conradson, S. D.; Shreve, A. P.
J. Am. Chem. Soc. 2011, 133, 11837-11839

16. Insight into contributions to phenol selectivity in the solution oxidation of benzene to phenol with H2O2
Neidig, M. L.; Hirsekorn, K. R.
Cat. Commun 2011, 12, 480-484

15. Direct observation of acetyl group formation from the reaction of CO with methylated H-MOR by in situ diffuse reflectance infrared spectroscopy"
Chen, X.; Neidig, M. L.; Tuinstra, R.; Malek, A.
J. Phys. Chem. Lett 2010, 1, 3012-3015

14. Formation and stabilixation of fluorescent gold nanoclusters using small molecules
Bao, Y.; Yeh, H.-C.; Zhong, C.; Sharma, J. K.; Neidig, M. L.;Cu, D. M.;Shreve, A. P.; Dyer, R. B.; Werner, J. H.; Martinez, J. S.
J. Phys. Chem. C 2011, 114, 15879-15882

13. The 3His triad in Dke1: Comparisons to the facial triad
Diebold, A. R.; Neidig, M. L.; Moran, G. R.; Straganz, G. D.; Solomon, E. I.
Biochemistry 2010, 49, 6945-6952

12. Geometric structure determiation of N694C lipoxygenase: A comparative near-edge x-ray absorption spectroscopy and extended x-ray absorption fine structure study
Sarangi, R.; Hocking, R. K.; Neidig, M. L.; Benfatto, M.; Holman, T. R.; Solomon, E. I.; Hodgson K. O.;Hedman, B.
Inorg. Chem. 2008, 47, 11543-11550

11. CD and MCD of CytC3 and taurine dioxygenase: Role of the facial triad in α-KG-dependent oxygenases
Neidig, M. L.; Brown, C. D.; Light, K. M.; Fujimori, D. G.; Nolan, E. M.; Price, J. C.; Barr, E. W.; Bollinger, J. M.; Krebs, C.; Solomon, E. I.
J. Am. Chem. Soc. 2007, 129, 14224-14231

10. Kinetic and spectroscopic studies of N694C lipoxygenase: A probe of the substrate activation mechanism of a nonheme ferric enzyme
Neidig, M. L.; Wecksler, A. T.; Schenk, G.; Holman, T. R.; Kacana, M.; Solomon, E. I.
J. Am. Chem. Soc. 2007, 129, 7531-7537

9. VTVH-MCD and DFT studies of thiolate bonding in {FeNO}7/{FeNO}8 complexes of isopenicillin N synthase: Substrate determination of oxidase versus oxygenase activity in nonheme Fe enzymes
Brown, C. D.; Neidig, M. L.; Neibergal, M. B.; Lipscomb, J. D.; Solomon, E. I.
J. Am. Chem. Soc. 2007, 129, 7427-7438

8. Spectroscopic and electronic structure studies of aromatic electrophilic attack and hydrogen-atom abstraction by non-heme iron enzymes
Neidig, M. L.; Decker, A.; Choroba, O. W.; Huang, R.; Kavana, M.; Moran, G. R.; Solomon, E. I.
Proc. Natl. Acad. Sci. U.S.A. 2006, 103, 12966-12973

7. Spectroscopic and electronic structure studies of the role of active site interactions in the decarboxylation reaction of α-keto acid-dependent dioxygenases
Neidig, M. L.; Brown, C. D.; Kavana, M.; Choroba, O. W.; Spencer, J. B.; Moran, G. R.; Solomon, E. I.
J. Inorg. Biochem. 2006, 100, 2108-2116

6. Kinetic, spectroscopic, and sructural investigations of the soyvean lipoxygenases-1 first-coordiation sphere mutant, Asn684Gly
Segraves, E. N.; Chruszcz, M.; Neidig, M. L.; Ruddat, V.; Zhou, J.; Wecksler, A.; Minor, W.; Solomon, E. I.; Holman, T. R.
Biochemistry 2006, 45, 10233-10242

5. Structure-function correlation in oxygen activating non-heme iron enzymes
Neidig, M. L.; Solomon, E. I.
Chem. Commun. 2005, 5843-5863

4. Spectroscopic and computatonal studies of NTBC bound to the non-heme iron enzyme (4-hydroxyphenyl)pyrucate dioxygenase: Active site contributions to drug inhibition
Neidig, M. L.; Decker, A.; Kavana, M.; Moran, G. R.; Solomon, E. I.
Biochem. Biophys. Res. Commun. 2005, 206-214

3. CD and MCD studies of the non-heme ferrous active site in (4-hydroxyphenyl)pyrucate dioxygenase: Correlation between oxygen activation in the extradiol and α-KG-dependent dioxygenase
Neidig, M. L.; Kavana, M.; Moran, G. R.; Solomon, E. I.
J. Am. Chem. Soc. 2004, 126, 4486-4487

2. Magnetic circular dichroism of paramagnetic species
Solomon, E. I.; Neidig, M. L.; Schenk, G.
Comp. Coord. Chem. II 2004, 2, 339-349

1. Spectroscopic characterization of soybean lipoxygenase-1 mutants: the role of second sphere residues in the regulation of enzyme activity
Schenk, G.; Neidig, M. L.; Zhou, J.; Holman, T. R.; Solomon, E. I.
Biochemistry 2003, 42, 7294-7302