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Combined Effects of Backbone and N-Substituents on Structure, Bonding, and Reactivity of Alkylated Iron(II)-NHCs.

Muñoz SB 3rd, Fleischauer VE, Brennessel WW, Neidig ML.

Organometallics. 2018 Sep 24;37(18):3093-3101. doi: 10.1021/acs.organomet.8b00466. Epub 2018 Sep 6.


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.

Carpenter SH, Baker TM, Muñoz SB 3rd, Brennessel WW, Neidig ML.

Chem Sci. 2018 Aug 24;9(41):7931-7939. doi: 10.1039/c8sc02915f. eCollection 2018 Nov 7.


Nitric oxide activation facilitated by cooperative multimetallic electron transfer within an iron-functionalized polyoxovanadate-alkoxide cluster.

Li F, Meyer RL, Carpenter SH, VanGelder LE, Nichols AW, Machan CW, Neidig ML, Matson EM.

Chem Sci. 2018 Jul 2;9(30):6379-6389. doi: 10.1039/c8sc00987b. eCollection 2018 Aug 14.


Intermediates and Mechanism in Iron-Catalyzed Cross-Coupling.

Sears JD, Neate PGN, Neidig ML.

J Am Chem Soc. 2018 Sep 26;140(38):11872-11883. doi: 10.1021/jacs.8b06893. Epub 2018 Sep 18.


Backbone Dehydrogenation in Pyrrole-Based Pincer Ligands.

Krishnan VM, Davis I, Baker TM, Curran DJ, Arman HD, Neidig ML, Liu A, Tonzetich ZJ.

Inorg Chem. 2018 Aug 6;57(15):9544-9553. doi: 10.1021/acs.inorgchem.8b01643. Epub 2018 Jul 24.


A Pseudotetrahedral Uranium(V) Complex.

Tondreau AM, Duignan TJ, Stein BW, Fleischauer VE, Autschbach J, Batista ER, Boncella JM, Ferrier MG, Kozimor SA, Mocko V, Neidig ML, Cary SK, Yang P.

Inorg Chem. 2018 Jul 16;57(14):8106-8115. doi: 10.1021/acs.inorgchem.7b03139. Epub 2018 Jul 5.


Crystal structures of two new six-coordinate iron(III) complexes with 1,2-bis(diphenyl-phosphane) ligands.

McNeil DL Jr, Beckford DJ, Kneebone JL, Carpenter SH, Brennessel WW, Neidig ML.

Acta Crystallogr E Crystallogr Commun. 2018 May 15;74(Pt 6):803-807. doi: 10.1107/S2056989018006898. eCollection 2018 Jun 1.


NHC and nucleophile chelation effects on reactive iron(ii) species in alkyl-alkyl cross-coupling.

Fleischauer VE, Muñoz Iii SB, Neate PGN, Brennessel WW, Neidig ML.

Chem Sci. 2018 Jan 8;9(7):1878-1891. doi: 10.1039/c7sc04750a. eCollection 2018 Feb 21.


The N-Methylpyrrolidone (NMP) Effect in Iron-Catalyzed Cross-Coupling with Simple Ferric Salts and MeMgBr.

Muñoz SB 3rd, Daifuku SL, Sears JD, Baker TM, Carpenter SH, Brennessel WW, Neidig ML.

Angew Chem Int Ed Engl. 2018 May 28;57(22):6496-6500. doi: 10.1002/anie.201802087. Epub 2018 May 8.


A Physical-Inorganic Approach for the Elucidation of Active Iron Species and Mechanism in Iron-Catalyzed Cross-Coupling.

Carpenter SH, Neidig ML.

Isr J Chem. 2017 Dec;57(12):1106-1116. doi: 10.1002/ijch.201700036. Epub 2017 Aug 24.


High-temperature pairing in a strongly interacting two-dimensional Fermi gas.

Murthy PA, Neidig M, Klemt R, Bayha L, Boettcher I, Enss T, Holten M, Zürn G, Preiss PM, Jochim S.

Science. 2018 Jan 26;359(6374):452-455. doi: 10.1126/science.aan5950. Epub 2017 Dec 21.


Iron(II) Complexes of a Hemilabile SNS Amido Ligand: Synthesis, Characterization, and Reactivity.

Das UK, Daifuku SL, Iannuzzi TE, Gorelsky SI, Korobkov I, Gabidullin B, Neidig ML, Baker RT.

Inorg Chem. 2017 Nov 20;56(22):13766-13776. doi: 10.1021/acs.inorgchem.7b01802. Epub 2017 Nov 7.


Magnetic circular dichroism and density functional theory studies of electronic structure and bonding in cobalt(ii)-N-heterocyclic carbene complexes.

Iannuzzi TE, Gao Y, Baker TM, Deng L, Neidig ML.

Dalton Trans. 2017 Oct 10;46(39):13290-13299. doi: 10.1039/c7dt01748k.


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 MC, Gabidullin BM, Da Gama JG, Daifuku SL, Iannuzzi TE, Neidig ML, Baker RT.

Organometallics. 2017 Feb 27;36(4):849-857. doi: 10.1021/acs.organomet.6b00908. Epub 2017 Feb 6.


Magnetic circular dichroism of UCl6- in the ligand-to-metal charge-transfer spectral region.

Gendron F, Fleischauer VE, Duignan TJ, Scott BL, Löble MW, Cary SK, Kozimor SA, Bolvin H, Neidig ML, Autschbach J.

Phys Chem Chem Phys. 2017 Jul 5;19(26):17300-17313. doi: 10.1039/c7cp02572f.


Polyoxovanadate-Alkoxide Clusters as a Redox Reservoir for Iron.

Li F, Carpenter SH, Higgins RF, Hitt MG, Brennessel WW, Ferrier MG, Cary SK, Lezama-Pacheco JS, Wright JT, Stein BW, Shores MP, Neidig ML, Kozimor SA, Matson EM.

Inorg Chem. 2017 Jun 19;56(12):7065-7080. doi: 10.1021/acs.inorgchem.7b00650. Epub 2017 May 26.


Magnetic circular dichroism studies of iron(ii) binding to human calprotectin.

Baker TM, Nakashige TG, Nolan EM, Neidig ML.

Chem Sci. 2017 Feb 1;8(2):1369-1377. doi: 10.1039/c6sc03487j. Epub 2016 Oct 11.


Intermediates and Reactivity in Iron-Catalyzed Cross-Couplings of Alkynyl Grignards with Alkyl Halides.

Kneebone JL, Brennessel WW, Neidig ML.

J Am Chem Soc. 2017 May 24;139(20):6988-7003. doi: 10.1021/jacs.7b02363. Epub 2017 May 16.


Catalytic Light-Driven Generation of Hydrogen from Water by Iron Dithiolene Complexes.

Lv H, Ruberu TP, Fleischauer VE, Brennessel WW, Neidig ML, Eisenberg R.

J Am Chem Soc. 2016 Sep 14;138(36):11654-63. doi: 10.1021/jacs.6b05040. Epub 2016 Sep 1.


Facile hydrogen atom transfer to iron(iii) imido radical complexes supported by a dianionic pentadentate ligand.

Spasyuk DM, Carpenter SH, Kefalidis CE, Piers WE, Neidig ML, Maron L.

Chem Sci. 2016 Sep 1;7(9):5939-5944. doi: 10.1039/c6sc01433j. Epub 2016 May 31.


Manipulating Magneto-Optic Properties of a Chiral Polymer by Doping with Stable Organic Biradicals.

Lim CK, Cho MJ, Singh A, Li Q, Kim WJ, Jee HS, Fillman KL, Carpenter SH, Neidig ML, Baev A, Swihart MT, Prasad PN.

Nano Lett. 2016 Sep 14;16(9):5451-5. doi: 10.1021/acs.nanolett.6b01874. Epub 2016 Aug 25.


Isolation, Characterization, and Reactivity of Fe8Me12(-): Kochi's S = 1/2 Species in Iron-Catalyzed Cross-Couplings with MeMgBr and Ferric Salts.

Muñoz Iii SB, Daifuku SL, Brennessel WW, Neidig ML.

J Am Chem Soc. 2016 Jun 22;138(24):7492-5. doi: 10.1021/jacs.6b03760. Epub 2016 Jun 7.


Equation of State of Ultracold Fermions in the 2D BEC-BCS Crossover Region.

Boettcher I, Bayha L, Kedar D, Murthy PA, Neidig M, Ries MG, Wenz AN, Zürn G, Jochim S, Enss T.

Phys Rev Lett. 2016 Jan 29;116(4):045303. doi: 10.1103/PhysRevLett.116.045303. Epub 2016 Jan 27.


Crystal structure of a third polymorph of tris-(acetyl-acetonato-κ(2) O,O')iron(III).

Baker TM, Howard KM, Brennessel WW, Neidig ML.

Acta Crystallogr E Crystallogr Commun. 2015 Nov 21;71(Pt 12):m228-9. doi: 10.1107/S2056989015021805. eCollection 2015 Dec 1.


Mononuclear, Dinuclear, and Trinuclear Iron Complexes Featuring a New Monoanionic SNS Thiolate Ligand.

Das UK, Daifuku SL, Gorelsky SI, Korobkov I, Neidig ML, Le Roy JJ, Murugesu M, Baker RT.

Inorg Chem. 2016 Jan 19;55(2):987-97. doi: 10.1021/acs.inorgchem.5b02833. Epub 2016 Jan 7.


Electronic Structure and Bonding in Iron(II) and Iron(I) Complexes Bearing Bisphosphine Ligands of Relevance to Iron-Catalyzed C-C Cross-Coupling.

Kneebone JL, Fleischauer VE, Daifuku SL, Shaps AA, Bailey JM, Iannuzzi TE, Neidig ML.

Inorg Chem. 2016 Jan 4;55(1):272-82. doi: 10.1021/acs.inorgchem.5b02263. Epub 2015 Dec 14.


Possible Demonstration of a Polaronic Bose-Einstein(-Mott) Condensate in UO2(+x) by Ultrafast THz Spectroscopy and Microwave Dissipation.

Conradson SD, Gilbertson SM, Daifuku SL, Kehl JA, Durakiewicz T, Andersson DA, Bishop AR, Byler DD, Maldonado P, Oppeneer PM, Valdez JA, Neidig ML, Rodriguez G.

Sci Rep. 2015 Oct 16;5:15278. doi: 10.1038/srep15278.


Linear and T-Shaped Iron(I) Complexes Supported by N-Heterocyclic Carbene Ligands: Synthesis and Structure Characterization.

Ouyang Z, Du J, Wang L, Kneebone JL, Neidig ML, Deng L.

Inorg Chem. 2015 Sep 8;54(17):8808-16. doi: 10.1021/acs.inorgchem.5b01522. Epub 2015 Aug 14.


Iron(II) Active Species in Iron-Bisphosphine Catalyzed Kumada and Suzuki-Miyaura Cross-Couplings of Phenyl Nucleophiles and Secondary Alkyl Halides.

Daifuku SL, Kneebone JL, Snyder BE, Neidig ML.

J Am Chem Soc. 2015 Sep 9;137(35):11432-44. doi: 10.1021/jacs.5b06648. Epub 2015 Aug 26.


Observation of Pair Condensation in the Quasi-2D BEC-BCS Crossover.

Ries MG, Wenz AN, Zürn G, Bayha L, Boettcher I, Kedar D, Murthy PA, Neidig M, Lompe T, Jochim S.

Phys Rev Lett. 2015 Jun 12;114(23):230401. Epub 2015 Jun 8.


Observation of the Berezinskii-Kosterlitz-Thouless Phase Transition in an Ultracold Fermi Gas.

Murthy PA, Boettcher I, Bayha L, Holzmann M, Kedar D, Neidig M, Ries MG, Wenz AN, Zürn G, Jochim S.

Phys Rev Lett. 2015 Jul 3;115(1):010401. Epub 2015 Jun 30.


Ambivalent binding between a radical-based pincer ligand and iron.

Harriman KL, Leitch AA, Stoian SA, Habib F, Kneebone JL, Gorelsky SI, Korobkov I, Desgreniers S, Neidig ML, Hill S, Murugesu M, Brusso JL.

Dalton Trans. 2015 Jun 14;44(22):10516-23. doi: 10.1039/c5dt01374g.


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 KL, Bendikov T, Shimon LJ, Diskin-Posner Y, Leitus G, Gorelsky SI, Neidig ML, Milstein D.

Inorg Chem. 2015 May 18;54(10):4909-26. doi: 10.1021/acs.inorgchem.5b00509. Epub 2015 Apr 28.


Isolation and characterization of a tetramethyliron(III) ferrate: an intermediate in the reduction pathway of ferric salts with MeMgBr.

Al-Afyouni MH, Fillman KL, Brennessel WW, Neidig ML.

J Am Chem Soc. 2014 Nov 5;136(44):15457-60. doi: 10.1021/ja5080757. Epub 2014 Oct 28.


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 SL, Al-Afyouni MH, Snyder BE, Kneebone JL, Neidig ML.

J Am Chem Soc. 2014 Jun 25;136(25):9132-43. doi: 10.1021/ja503596m. Epub 2014 Jun 11. Erratum in: J Am Chem Soc. 2014 Aug 20;136(33):11847.


Flexible binding of PNP pincer ligands to monomeric iron complexes.

Fillman KL, Bielinski EA, Schmeier TJ, Nesvet JC, Woodruff TM, Pan CJ, Takase MK, Hazari N, Neidig ML.

Inorg Chem. 2014 Jun 16;53(12):6066-72. doi: 10.1021/ic5004275. Epub 2014 May 30.


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 KL, Diskin-Posner Y, Bendikov T, Iron MA, Leitus G, Ben-David Y, Neidig ML, Milstein D.

Chemistry. 2014 Apr 7;20(15):4403-13. doi: 10.1002/chem.201304631. Epub 2014 Mar 3.


Association of leptin and insulin with childhood obesity and retinal vessel diameters.

Siegrist M, Hanssen H, Neidig M, Fuchs M, Lechner F, Stetten M, Blume K, Lammel C, Haller B, Vogeser M, Parhofer KG, Halle M.

Int J Obes (Lond). 2014 Sep;38(9):1241-7. doi: 10.1038/ijo.2013.226. Epub 2013 Dec 4.


Efficient Nazarov cyclization/Wagner-Meerwein rearrangement terminated by a Cu(II)-promoted oxidation: synthesis of 4-alkylidene cyclopentenones.

Lebœuf D, Theiste E, Gandon V, Daifuku SL, Neidig ML, Frontier AJ.

Chemistry. 2013 Apr 8;19(15):4842-8. doi: 10.1002/chem.201203396. Epub 2013 Feb 21.


Retinal vessel diameter, obesity and metabolic risk factors in school children (JuvenTUM 3).

Hanssen H, Siegrist M, Neidig M, Renner A, Birzele P, Siclovan A, Blume K, Lammel C, Haller B, Schmidt-Trucksäss A, Halle M.

Atherosclerosis. 2012 Mar;221(1):242-8. doi: 10.1016/j.atherosclerosis.2011.12.029. Epub 2011 Dec 27.


Activation of α-keto acid-dependent dioxygenases: application of an {FeNO}7/{FeO2}8 methodology for characterizing the initial steps of O2 activation.

Diebold AR, Brown-Marshall CD, Neidig ML, Brownlee JM, Moran GR, Solomon EI.

J Am Chem Soc. 2011 Nov 16;133(45):18148-60. doi: 10.1021/ja202549q. Epub 2011 Oct 21.


Ag K-edge EXAFS analysis of DNA-templated fluorescent silver nanoclusters: insight into the structural origins of emission tuning by DNA sequence variations.

Neidig ML, Sharma J, Yeh HC, Martinez JS, Conradson SD, Shreve AP.

J Am Chem Soc. 2011 Aug 10;133(31):11837-9. doi: 10.1021/ja202797w. Epub 2011 Jul 19.


The three-his triad in Dke1: comparisons to the classical facial triad.

Diebold AR, Neidig ML, Moran GR, Straganz GD, Solomon EI.

Biochemistry. 2010 Aug 17;49(32):6945-52. doi: 10.1021/bi100892w.


Geometric structure determination of N694C lipoxygenase: a comparative near-edge X-ray absorption spectroscopy and extended X-ray absorption fine structure study.

Sarangi R, Hocking RK, Neidig ML, Benfatto M, Holman TR, Solomon EI, Hodgson KO, Hedman B.

Inorg Chem. 2008 Dec 15;47(24):11543-50. doi: 10.1021/ic800580f.


CD and MCD of CytC3 and taurine dioxygenase: role of the facial triad in alpha-KG-dependent oxygenases.

Neidig ML, Brown CD, Light KM, Fujimori DG, Nolan EM, Price JC, Barr EW, Bollinger JM Jr, Krebs C, Walsh CT, Solomon EI.

J Am Chem Soc. 2007 Nov 21;129(46):14224-31. Epub 2007 Oct 30.


Kinetic and spectroscopic studies of N694C lipoxygenase: a probe of the substrate activation mechanism of a nonheme ferric enzyme.

Neidig ML, Wecksler AT, Schenk G, Holman TR, Solomon EI.

J Am Chem Soc. 2007 Jun 20;129(24):7531-7. Epub 2007 May 25.


Spectroscopic and electronic structure studies of the role of active site interactions in the decarboxylation reaction of alpha-keto acid-dependent dioxygenases.

Neidig ML, Brown CD, Kavana M, Choroba OW, Spencer JB, Moran GR, Solomon EI.

J Inorg Biochem. 2006 Dec;100(12):2108-16. Epub 2006 Sep 26.


Kinetic, spectroscopic, and structural investigations of the soybean lipoxygenase-1 first-coordination sphere mutant, Asn694Gly.

Segraves EN, Chruszcz M, Neidig ML, Ruddat V, Zhou J, Wecksler AT, Minor W, Solomon EI, Holman TR.

Biochemistry. 2006 Aug 29;45(34):10233-42.


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