Coordination Chemistry
149) Matthew R. Espinosa†, Fernando Guerrero†, Nathanael P. Kazmierczak†, Paul H. Oyala, Alexandria Hong, Ryan G. Hadt, and Theodor Agapie. "Slow Electron Spin Relaxation at Ambient Temperatures with Copper Coordinated by a Rigid Macrocyclic Ligand." J. Am. Chem. Soc. 2025, 147, 14036-14042. link
145) Tianyi He†, Meaghan Bruening†, Matthew Espinosa, and Theodor Agapie. "Novel Silicate Platform as Weakly-Coordinating Anions for Diverse Organometallic and Electrochemical Applications" Angew. Chem. Int. Ed. 2025, 64, e202417136. link
144) Jin Xiong, Christopher Reed, Barbara Lavina, Michael Y. Hu, Jiyong Zhao, Esen E. Alp, Theodor Agapie, and Yisong Guo. "57Fe nuclear resonance vibrational spectroscopic studies of tetranuclear iron clusters bearing terminal iron(III)-oxido/hydroxido moieties" Chem. Sci. 2024, 15, 16222-16233. link
140) Gavin P. Heim, Masanari Hirahara, Vidhya M. Dev, and Theodor Agapie. "Synthesis and electronic properties of nitrogen-rich nanographene." Chem. Commun. 2024, 60, 7343-7346. link
132) Anna G. Scott, Diogo Alves Galico, Isabel Bogacz, Paul H. Oyala, Junko Yano, Elizaveta A. Suturina, Muralee Murugesu, and Theodor Agapie. "High-Spin and Reactive Fe13 Cluster with Exposed Metal Sites" Angew. Chem. Int. Ed. 2023, 62, e202313880. link
120) Choon Heng Low, Joshua A. Buss, and Theodor Agapie. "Molybdenum-Mediated Coupling of Carbon Monoxide to a C3 Product on a Single Metal Site." Inorg. Chem. 2022, 61, 7710-7714. link
118) Luciano Barluzzi, Nadir Jori, Tianyi He, Thayalan Rajeshkumar, Rosario Scopelliti, Laurent Maron, Paul Oyala, Theodor Agapie, and Marinella Mazzanti. "Heterometallic uranium/molybdenum nitride synthesis via partial N-atom transfer." Chem. Commun. 2022, 58, 4655-4658. link
117) Charles H. Arnett, Paul H. Oyala, and Theodor Agapie "Probing Redox Non-Innocence in Iron-Carbene Complexes {Fe=C(H)Ar}10-11 by 1,2H and 13C Pulse Electron Paramagnetic Resonance" Angew. Chem. Int. Ed., 2021, 60, 27220. link
116) Joshua A. Buss, Naoki Shida, Tianyi He, and Theodor Agapie. "Carbon Dioxide Reduction with Dihydrogen and Silanes at Low-Valent Molybdenum Terphenyl Diphosphine Complexes: Reductant Identity Dictates Mechanism" ACS Catal., 2021, 11, 13294-13302. link
112) Gwendolyn A. Bailey and Theodor Agapie. "Terminal, Mo Carbide and Carbyne Reactivity: H2 Cleavage, B-C Bond Activation, and C-C Coupling" Organometallics., 2021 40, 2881-2887. link
111) Gwendolyn A. Bailey, Joshua A. Buss, Paul H. Oyala, and Theodor Agapie. "Terminal, Open-Shell Mo Carbide and Carbyne Complexes: Spin Delocalization and Ligand Non-innocence" J. Am. Chem. Soc., 2021 143, 13091-13102. link
104) Ryan D. Ribson, Gyeongshin Choi, Ryan G. Hadt, and Theodor Agapie. "Controlling Singlet Fission with Coordination Chemistry-Induced Assembly of Dipyridyl Pyrrole Bipentacenes" ACS Cent. Sci. 2020, 6, 2088-2096. link
101) Manar M. Shoshani and Theodor Agapie. "Ligand Architecture for Triangular Metal Complexes: A High Oxidation State Ni3 Cluster with Proximal Metal Arrangement" Chem. Commun., 2020, 56, 11279-1282. link
100) Ruomeng Wan, Joshua A. Buss, Kyle T. Horak, and Theodor Agapie. "A Hemilabile Diphosphine Pyridine Pincer Ligand: σ- and π-Binding in Molybdenum Coordination Complexes" Polyhedron, 2020, 187, 114631. link (Special issue celebrating John Bercaw's 75th birthday)
92) Jessica Sampson, Gyeongshin Choi, Muhammad Naseem Akhtar, E.A. Jaseer, Rajesh Theravalappil, Nestor Garcia, and Theodor Agapie. "Early Metal Di(pyridyl) Pyrrolide Complexes with Second Coordination Sphere Arene-π Interactions: Ligand Binding and Ethylene Polymerization" ACS Omega, 2019, 4, 15879-15892. link
91) Joshua A. Buss, Gwendolyn A. Bailey, Julius Oppenheim, David G. VanderVelde, William A. Goddard III, and Theodor Agapie. "CO Coupling Chemistry of a Terminal Mo Carbide: Sequential Addition of Proton, Hydride, and CO Releases Ethenone" J. Am. Chem. Soc., 2019, 141, 15664-15674. link
83) Joshua A. Buss, Masanari Hirahara, Yohei Ueda, and Theodor Agapie. "Molecular Mimics of Heterogeneous Metal Phosphides: Thermochemistry, Hydride-Proton Isomerism, and HER Reactivity" Angew. Chem. Int. Ed., 2018, 57, 16329-16333. link
80) Joshua A. Buss, David G. VanderVelde, and Theodor Agapie. "Lewis Acid Enhancement of Proton Induced CO2 Cleavage: Bond Weakening and Ligand Residence Time Effects" J. Am. Chem. Soc., 2018, 140, 10121-10125. link
79) Joshua A. Buss, Christine Cheng, and Theodor Agapie. "A Low-Valent Molybdenum Nitride: Reduction Promotes Carbonylation Chemistry" Angew. Chem. Int. Ed. 2018, 57, 9670-9674. link
74) Joshua A. Buss, Paul H. Oyala, and Theodor Agapie. "Terminal Molybdenum Phosphides with d-Electrons: Radical Character Promotes Coupling Chemistry" Angew. Chem. Int. Ed. 2017, 56, 14502-14506. link
63) Joshua A. Buss and Theodor Agapie "Mechanism of Molybdenum Mediated Carbon Monoxide Deoxygenation and Coupling: Mono- and Dicarbyne Complexes Precede C-O Bond Cleavage and C-C Bond Formation" J. Am. Chem. Soc. 2016, 138, 16466-16477. link
62) Paul Kelley, Guy A. Edouard, Sibo Lin, and Theodor Agapie "Lewis Acid Accelerated Aryl Ether Bond Cleavage with Ni: Orders of Magnitude Rate Enhancement by AlMe3" Chem. Eur. J. 2016, 22, 17173-17176. link
60) Justin T. Henthorn and Theodor Agapie "Modulation of Proton-Coupled Electron Transfer through Molybdenum-Quinonoid Interactions" Inorg. Chem. 2016, 55, 5337-5342. link
58) Kyle T. Horak and Theodor Agapie "Dioxygen Reduction by a Pd(0)-Hydroquinone Diphosphine Complex" J. Am. Chem. Soc. 2016, 138, 3443-3452. link
56) Joshua A. Buss and Theodor Agapie "Four-electron deoxygenative reductive coupling of carbon monoxide at a single metal site" Nature, 2016, 529, 72-75. link
54) Guy A. Edouard, Paul Kelley, David E. Herbert, and Theodor Agapie "Aryl Ether Cleavage by Group 9 and 10 Transition Metals: Stoichiometric Studies of Selectivity and Mechanism" Organometallics 2015, 34, 5254-5277. link
52) Kyle T. Horak, Sibo Lin, Jonathan Rittle, and Theodor Agapie "Heterometallic Effects in Trinuclear Complexes Supported by p-Terphenyl Diphosphine Ligands" Organometallics 2015, 34, 4429-4432. link
51) Kyle T. Horak, David G. VanderVelde, and Theodor Agapie "Tuning of Metal Complex Electronics and Reactivity by Remote Lewis Acid Binding to a π-Coordinating Pyridine Diphosphine Ligands" Organometallics 2015, 34, 4753-4765. link
49) Justin T. Henthorn, Sibo Lin, and Theodor Agapie "Combination of Redox-Active Ligand and Lewis Acid for Dioxygen Reduction with π-Bound Molybdenum Quinoid Complexes" J. Am. Chem. Soc. 2015, 137, 1458-1464. link
45) Justin T. Henthorn and Theodor Agapie "Dioxygen Reactivity with a Ferrocene-Lewis Acid Pairing: Reduction to a Boron Peroxide in the Presence of Tris(pentafluorophenyl)borane" Angew. Chem. Int. Ed. 2014, 53, 12893-12896. link
42) Emily Y. Tsui and Theodor Agapie "Carbon Dioxide Cleavage by a Ni2 Complex Supported by a Binucleating Bis(N-Heterocyclic Carbene) Framework" Polyhedron 2014, 8, 103-110. link (Special issue celebrating John Bercaw's 70th birthday)
40) Kyle T. Horak, Alexandra Velian, Michael W. Day, and Theodor Agapie "Arene Non-Innocence in Dinuclear Complexes of Fe, Co, and Ni Supported by a para-Terphenyl Diphosphine" Chem. Commun. 2014, 50, 4427-4429. link
37) Sandy Suseno, Kyle T. Horak, Michael W. Day, and Theodor Agapie "Trinuclear Nickel Complexes with Metal–Arene Interactions Supported by Tris- and Bis(phosphinoaryl)benzene Frameworks" Organometallics 2013, 32, 6883-6886. link
36) Sibo Lin, David E. Herbert, Alexandra Velian, Michael W. Day, and Theodor Agapie "Dipalladium(II) Terphenyl Diphosphine Complexes as Models for Two-Site Adsorption and Activation of Organic Molecules" J. Am. Chem. Soc. 2013, 135, 15830-15840. link
35) David E. Herbert, Nadia C. Lara, Theodor Agapie "Arene C-H Amination at Nickel Terphenyl-Diphosphine Complexes with Labile Metal-Arene Interactions" Chem. Eur. J. 2013, 19, 16453-16460. link
33) Sandy Suseno and Theodor Agapie "Intramolecular Arene C-H to C-P Functionalization by Nickel(II) and Palladium(II)" Organometallics 2013, 32, 3161-3164. link
26) Paul Kelley, Madalyn R. Radlauer, Abraham J. Yanez, Michael W. Day, and Theodor Agapie "Metallomacrocycles as ligands: synthesis and characterisation of aluminium-bridged bisglyoximato complexes of palladium and iron" Dalton Trans. 2012, 41, 8086-8092. (Young Talent Issue) link
25) Paul Kelley, Sibo Lin, Guy Edouard, Michael W. Day, and Theodor Agapie "Nickel-Mediated Hydrogenolysis of C—O Bonds of Aryl Ethers: What Is the Source of the Hydrogen?" J. Am. Chem. Soc. 2012, 134, 5480-5483. link
20) Steven T. Chao, Nadia C. Lara, Sibo Lin, Michael W. Day and Theodor Agapie "Reversible Halide-Modulated Nickel–Nickel Bond Cleavage: Metal–Metal Bonds as Design Elements for Molecular Devices" Angew. Chem. Int. Ed. 2011, 50, 7529–7532. link
18) Sibo Lin, Michael W. Day, and Theodor Agapie "Nickel Hydrides Supported by a Non-Innocent Diphosphine Arene Pincer: Mechanistic Studies of Nickel−Arene H-Migration and Partial Arene Hydrogenation" J. Am. Chem. Soc. 2011, 133, 3828-3831. link
14) Alexandra Velian, Sibo Lin, Alexander J. M. Miller, Michael W. Day and Theodor Agapie "Synthesis and C–C Coupling Reactivity of a Dinuclear NiI–NiI Complex Supported by a Terphenyl Diphosphine" J. Am. Chem. Soc. 2010, 132 (18), 6296-6297. link
11) Theodor Agapie, Michael W. Day, and John E. Bercaw "Synthesis and Reactivity of Tantalum Complexes Supported by Bidentate X2 and Tridentate LX2 Ligands having Two Phenolates Linked to Pyridine, Thiophene, Furan, and Benzene Connectors – Mechanistic Studies of the Formation of a Tantalum Benzylidene and Insertion Chemistry for Tantalum Carbon Bonds" Organometallics 2008, 27 (23), 6123-6142. link
8) Theodor Agapie and John E. Bercaw "Cyclometallated Tantalum Diphenolate Pincer Complexes: Intramolecular C-H/M-CH3 σ– Bond Metathesis May Be Faster than O-H/M-CH3 Protonolysis" Organometallics 2007, 26 (12), 2957-2959. link
7) Smaranda C. Marinescu, Theodor Agapie, Michael W. Day, and John E. Bercaw "Group 3 Dialkyl Complexes with Tetradentate (L, L, N, O; L = N, O, S) Monoanionic Ligands – Synthesis and Reactivity" Organometallics 2007, 26 (5), 1178-1190. link
4) Theodor Agapie, Paula L. Diaconescu, and Christopher C. Cummins "Methine (CH) Transfer via a Chlorine Atom Abstraction/Benzene-Elimination Strategy: Molybdenum Methylidyne Synthesis and Elaboration to a Phosphaisocyanide Complex" J. Am. Chem. Soc. 2002, 124 (11), 2412-2413. link
3) Theodor Agapie, Paula L. Diaconescu, Daniel J. Mindiola and Christopher C. Cummins "Radical Scission of Symmetrical 1,4-Dicarbonyl Compounds: C-C Bond Cleavage with Titanium(IV) Enolate Formation and Related Reactions" Organometallics 2002, 21 (7), 1329-1340. link
2) Paula L. Diaconescu, Aaron L. Odom, Theodor Agapie and Christopher C. Cummins "Uranium-Group 14 Element Single Bonds: Isolation and Characterization of a Uranium(IV) Silyl Species" Organometallics 2001, 20 (24), 4993-4995. link
1) Theodor Agapie, Aaron L. Odom, Christopher C. Cummins "In Pursuit of the Molybdenum(III) Tris(thiolate) Fragment: Unusual Structure of a Dimolybdenum μ-Nitrido Complex" Inorg. Chem. 2000, 39 (2), 174-179. link