Agapie Group Inorganic, Organometallic and Bioinorganic Chemistry
Synthesis, Mechanism and Catalysis
Research in the Agapie laboratory is targeted toward developing new materials and catalysts for sustainable technologies by using inspiration from biological systems. Some of the most fascinating catalysts in Nature display complex inorganic cofactors, sometimes in combination with organic cofactors, and perform chemical transformations (water reduction and oxidation, carbon dioxide reduction, dinitrogen reduction, dioxygen reduction) that are arguably prerequisites for the advance of society in the current context of limiting energy resources and environmental concerns. The group’s approach to these chemical transformations is centered on the synthesis and study of metal complexes relevant to catalysis. Given the scale of the potential applications, we focus on studies of inexpensive and abundant first-row transition metals. To these ends we have developed new methodologies for the synthesis of complex inorganic targets and have performed mechanistic studies to understand the properties and reactivity of these compounds. The graphic above highlights some of our results and approaches.
Papers
| 146) | 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. 2024, e202417136. link |
| 145) | 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, Advance Article. link |
| 144) | Madeline H. Hicks†, Weixuan Nie†, Annette E. Boehme, Harry A. Atwater, Theodor Agapie, Jonas C. Peters. "Electrochemical CO2 Reduction in Acidic Electrolytes: Spectroscopic Evidence for Local pH Gradients" JACS 2024, ASAP Article. link |
 | 143) | Kyra M. K. Yap†, Aisulu Aitbekova†, Matthew Salazar†, Tobias A. Kistler, Melanie Rodriguez Pabon, Magel P. Su, Nicholas B. Watkins, Sang-Won Lee, Peter Agbo, Adam Z. Weber, Jonas C. Peters, Theodor Agapie, Adam C. Nielander, Harry A. Atwater, Thomas F. Jaramillo, and Alexis T. Bell. "CO2 Conversion to Butene via a Tandem Photovoltaic-Electrochemical/Photothermocatalytic Process: A Co-design Approach to Coupled Microenvironments" ACS Energy Lett. 2024, 9, 4369-4377. link |
 | 142) | Magel P. Su, Aisulu Aitbekova, Matthew Salazar, Xueqian Li, Shuoyan Xiong, Matthew Espinosa, Jonas C. Peters, Theodor Agapie, and Harry A. Atwater. "A Photothermocatalytic Reactor and Selective Solar Absorber for Sustainable Fuel Synthesis by Ethylene Oligomerization" ChemRxiv 2024, Working Paper. link |
| 141) | Priyabrata Ghana†, Shuoyan Xiong†, Adjeoda Tekpor, Brad C. Bailey, Heather A. Spinney, Briana S. Henderson, and Theodor Agapie. "Catalyst Editing via Post-Synthetic Functionalization by Phosphonium Generation and Anion Exchange for Nickel-Catalyzed Ethylene/Acrylate Copolymerization." J. Am. Chem. Soc. 2024, 146, 18797-18803. link |
 | 140) | Gavin P. Heim, Masanari Hirahara, Vidhya M. Dev, and Theodor Agapie. "Synthesis and electronic properties of nitrogen-rich nanographene." Chem. Commun. 2024, Advance Article. link |
 | 139) | Gavin P. Heim†, Meaghan A. Bruening†, Charles B. Musgrave III, William A. Goddard III, Jonas C. Peters, and Theodor Agapie. "Potassium ion modulation of the Cu electrode-electrode interface with ionomers enhances CO2 reduction to C2+ products." Joule 2024, 8, 1-10. link |
 | 138) | Shuoyan Xiong, Heather A. Spinney, Brad C. Bailey, Briana S. Henderson, Adjeoda A. Tekpor, Matthew R. Espinosa, Paramita Saha, and Theodor Agapie. "Switchable Synthesis of Ethylene/Acrylate Copolymers by a Dinickel Catalyst: Evidence for Chain Growth on Both Nickel Centers and Concepts of Cation Exchange Polymerization." ACS Catal. 2024, 14, 5260-5268. link |
 | 137) | Nicholas B. Watkins, Yungchieh Lai, Zachary J. Schiffer, Virginia M. Canestraight, Harry A. Atwater, Theodor Agapie, Jonas C. Peters, and John M. Gregoire. "Electrode Surface Heating with Organic Films Improves CO2 Reduction Kinetics on Copper." ACS Energy Lett. 2024, 9, 1440-1445. link |
 | 136) | Aisulu Aitbekova, Nicholas Watkins, Matthias H. Richter, Phillip Jahelka, Jonas C. Peters, Theodor Agapie, and Harry A. Atwater. "Molecular Additives Improve the Selectivity of CO2 Photoelectrochemical Reduction over Gold Nanoparticles on Gallium Nitride." Nano Lett. 2024, 24, 1090-1095. link |
 | 135) | Linh N.V. Le, Justin P. Joyce, Paul H. Oyala, Serena DeBeer, and Theodor Agapie. "Highly Activated Terminal Carbon Monoxide Ligand in an Iron-Sulfur Cluster Model of FeMco with Intermediate Local Spin State at Fe." J. Am. Chem. Soc. 2024, 146, 5045-5050. link |
 | 134) | Davide Lionetti, Sandy Suseno, Angela A. Shiau, Graham de Ruiter, and Theodor Agapie. "Redox Processes Involving Oxygen: The Surprising Influence of Redox-Inactive Lewis Acids." JACS Au. 2024, 4, 344-368. link |
 | 133) | Shuoyan Xiong, Alexandria Hong, Priyabrata Ghana, Brad C. Bailey, Heather A. Spinney, Hannah Bailey, Briana S. Henderson, Steve marshall, and Theodor Agapie. "Acrylate-Induced β-H Elimination in Coordination Insertion Copolymerization Catalyzed by Nickel." J. Am. Chem. Soc. 2023, 145, 26463-26471. 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 |
 | 131) | Shuoyan Xiong, Manar M. Shoshani, Alex J. Nett, Heather A. Spinney, Briana S. Henderson, and Theodor Agapie. "Nickel-Based Heterometallic Catalysts for Ethylene-Acrylate Copolymerization: Interrogating Effects of Secondary Metal Additives." Organometallics 2023, 42, 2849-2855. link |
 | 130) | Angela A. Shiau, Heui Beom Lee, Paul H. Oyala, and Theodor Agapie. "Coordination Number in High-Spin—Low-Spin Equilibrium in Cluster Models of the S2 State of the Oxygen Evolving Complex." J. Am. Chem. Soc. 2023, 145, 14592-14598. link |
 | 129) | Meaghan A. Bruening, Shuoyan Xiong, and Theodor Agapie. "α, ω-Diene Generation from Ethylene and Butadiene by Copolymer Upcycling." ACS Sustainable Chemistry & Engineering. 2023, 11, 9918-9923. link |
 | 128) | Shuoyan Xiong, Priyabrata Ghana, Brad C. Bailey, Heather A. Spinney, Briana S. Henderson, Matthew R. Espinosa, and Theodor Agapie. "Impact of Labile Ligands on Catalyst Initiation and Chain Propagation in Ni-Catalyzed Ethylene/Acrylate Copolymerization." ACS Catal. 2023, 13, 5000-5006. link |
 | 127) | Nicholas B. Watkins, Zachary J. Schiffer, Yungchieh Lai, Charles B. Musgrave III, Harry A. Atwater, William A. Goddard III, Theodor Agapie, Jonas C. Peters, and John M. Gregoire. "Hydrodynamics Change Tafel Slopes in Electrochemical CO2 Reduction on Copper." ACS Energy Letters. 2023, 8, 2185-2192. link |
 | 126) | Weixuan Nie, Gavin P. Heim, Nicholas B. Watkins, Theodor Agapie, and Jonas C. Peters. "Organic Additive-derived Films on Cu Electrodes Promote Electrochemical CO2 Reduction to C2+ Products Under Strongly Acidic Conditions." Angew. Chem. Int. Ed. 2023, 62, e202216102. link |
 | 125) | Anna G. Scott and Theodor Agapie. "Synthesis of a Fe3-Carbyne Motif by Oxidation of an Alkyl Ligated Iron-Sulfur (WFe3S3) Cluster." J. Am. Chem. Soc. 2023, 145, 2-6. link |
 | 124) | Nicholas B. Watkins, Yueshen Wu, Weixuan Nie, Jonas C. Peters, and Theodor Agapie. "In situ Deposited Polyaromatic Layer Generates Robust Copper Catalyst for Selective Electrochemical CO2 Reduction at Variable pH." ACS Energy Letters. 2023, 8, 189-195. link |
 | 123) | Manar M. Shoshani, Shuoyan Xiong, James J. Lawniczak, Xinglong Zhang, Thomas F. Miller III, and Theodor Agapie. "Phosphine-Phenoxide Nickel Catalysts for Ethylene/Acrylate Copolymerization: Olefin Coordination and Complex Isomerization Studies Relevant to the Mechanism of Catalysis." Organometallics. 2022, 41, 2119-2131. link |
 | 122) | Angela A. Shiau, Heui Beom Lee, Paul H. Oyala, and Theodor Agapie. "MnIV4O4 Model of the S3 Intermediate of the Oxygen-Evolving Complex: Effect of the Dianionic Disiloxide Ligand." Inorg. Chem. 2022, 62, 1791-1796. link |
 | 121) | Shuoyan Xiong, Alexandria Hong, Brad C. Bailey, Heather A. Spinney, Todd D. Senecal, Hannah Bailey, and Theodor Agapie. "Highly Active and Thermally Robust Nickel Enolate Catalysts for the Synthesis of Ethylene-Acrylate Copolymers."Angew. Chem. Int. Ed., 2022, 134, e202206637. 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 |
 | 119) | Yungchieh Lai, Nicholas B. Watkins, Christopher Muzzillo, Matthias Richter, Kevin Kan, Lan Zhou, Joel A. Haber, Andriy Zakutayev, Jonas C. Peters, Theodor Agapie, and John M. Gregoire. "Molecular Coatings Improve the Selectivity and Durability of CO2 Reduction Chalcogenide Photocathodes." ACS Energy Lett. 2022, 7, 1195-1201. 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 |
 | 115) | Yungchieh Lai, Nicholas B. Watkins, Alonso Rosas-Hernández, Arnaud Thevenon, Gavin P. Heim, Lan Zhou, Yueshen Wu, Jonas C. Peters, John M. Gregoire, and Theodor Agapie. "Breaking Scaling Relationships in CO2 Reduction on Copper Alloys with Organic Additives" ACS Cent. Sci., 2021, 7, 1756-1762 link |
 | 114) | Linh N. V. Le, Gwendolyn A. Bailey, Anna G. Scott, and Theodor Agapie. "Partial Synthetic Models of FeMoco with Sulfide and Carbyne Ligands: Effect of Interstitial Atom in Nitrogenase Active Site" PNAS, 2021, 118, e2109241118 link |
 | 113) | Hossein Yadegari, Adnan Ozden, Tartela Alkayyali, Vikram Soni, Arnaud Thevenon, Alonso Rosas-Hernández, Theodor Agapie, Jonas C. Peters, Edward H. Sargent, and David Sinton. "Glycerol Oxidation Pairs with Carbon Monoxide Reduction for Low-Voltage Generation of C2 and C3 Product Streams" ACS Energy Lett., 2021, 6, 3538-3544 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 |
 | 110) | Jessica Sampson, Meaghan Bruening, Muhammed Naseem Akhtar, E. A. Jaseer, Rajesh Theravalappil, Nestor Garcia, and Theodor Agapie. "Copolymerization of Ethylene and Long-Chain Functional α-Olefins by Dinuclear Zirconium Catalysts" Organometallics, 2021 40, 1854-1858. link |
 | 109) | Heui Beom Lee, Angela A. Shiau, David A. Marchiori, Paul H. Oyala, Byung-Kuk Yoo, Jens T. Kaiser, Douglas C. Rees, R. David Britt, and Theodor Agapie. "CaMn3IVO4 Cubane Models of the Oxygen Evolving Complex: Spin Ground States S < 9/2 and the Effect of Oxo Protonation" Angew. Chem. Int. Ed., 2021, 60, 17671-17679. link |
 | 108) | Shuoyan Xiong, Manar M. Shoshani, Xinglong Zhang, Heather A. Spinney, Alex J. Nett, Briana S. Henderson, Thomas F. Miller III, Theodor Agapie. "Efficient Copolymerization of Acrylate and Ethylene with Neutral P, O-Chelated Nickel Catalysts: Mechanistic Investigations of Monomer Insertion and Chelate Formation" J. Am. Chem. Soc. 2021, 143, 6516-6527 link |
 | 107) | Arnaud Thevenon, Alonso Rosas-Hernández, Alex M. Fontani Herreros, Theodor Agapie, and Jonas C. Peters. "Dramatic HER Suppression on Ag Electrodes via Molecular Films for Highly Selective CO2 to CO Reduction" ACS Catalysis. 2021, 11, 4530-4537 link |
 | 106) | Adnan Ozden, Yuhang Wang, Fengwang Li, Mingchuan Luo, Jared Sisler, Arnaud Thevenon, Alonso Rosas-Hernández, Thomas Burdyny, Yanwei Lum, Hossein Yadegari, Theodor Agapie, Jonas C. Peters, Edward H. Sargent, and David Sinton. "Cascade CO2 Electroreduction Enables Efficient Carbonate-free Production of Ethylene" Joule. 2021, 5, 706-719 link |
 | 105) | Nathanael A. Hirscher, Charles H. Arnett, Paul H. Oyala, and Theodor Agapie. "Characterization of Cr-Hydrocarbyl Species via Pulse EPR in the Study of Ethylene Tetramerization Catalysis" Organometallics 2020, 39, 4420-4429 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 |
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| 103) | Charles H. Arnett, Isabel Bogacz, Ruchira Chatterjee, Junko Yano, Paul H. Oyala, and Theodor Agapie. “Mixed-Valent Diiron μ -Carbyne, μ -Hydride Complexes: Implications for Nitrogenase" J. Am. Chem. Soc., 2020, 44, 18795-18813 link |
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| 102) | Adnan Ozden, Fengwang Li, F. Pelayo Garcı́a de Arquer, Alonso Rosas-Hernández, Arnaud Thevenon, Yuhang Wang, Sung-Fu Hung, Xue Wang, Bin Chen, Jun Li, Joshua Wicks, Mingchuan Luo, Ziyun Wang, Theodor Agapie, Jonas C. Peters, Edward H. Sargent, and David Sinton. “High-Rate and Efficient Ethylene Electrosynthesis Using a Catalyst/Promoter/Transport Layer" ACS Energy Lett., 2020, 5, 2811-2818 link |
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| 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 |
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| 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) |
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| 99) | Charles H. Arnett and Theodor Agapie. “Activation of an Open Shell, Carbyne-Bridged Diiron Complex Toward Binding of Dinitrogen" J. Am. Chem. Soc., 2020, 142, 10059-10068 link |
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| 98) | Dae-Hyun Nam, Phil De Luna, Alonso Rosas-Hernández, Arnaud Thevenon, Fengwang Li, Theodor Agapie, Jonas C. Peters, Osama Shekhah, Mohamed Eddaoudi, and Edward H. Sargent. “Molecular enhancement of heterogeneous CO2 reduction" Nature Materials, 2020, 19, 266-276. link |
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| 97) | Heui Beom Lee, David A. Marchiori, Ruchira Chatterjee, Paul H. Oyala, Junko Yano, R. David Britt, and Theodor Agapie. “S = 3 Ground State for a Tetranuclear MnIV4O4 Complex Mimicking the S3 State of the Oxygen Evolving Complex" J. Am. Chem. Soc., 2020, 142, 3753-3761. link |
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| 96) | Fengwang Li, Arnaud Thevenon, Alonso Rosas-Hernández, Ziyun Wang, Yilin Li, Christine M. Gabardo, Adnan Ozden, Cao Thang Dinh, Jun Li, Yuhang Wang, Jonathan P. Edwards, Yi Xu, Christopher McCallum, Lizhi Tao, Zhi-Qin Liang, Mingchuan Luo, Xue Wang, Huihui Li, Colin P. O'Brien, Chih-Shan Tan, Dae-Hyun Nam, Rafael Quintero-Bermudez, Tao-Tao Zhuang, Yuguang C. Li, Zhiji Han, R. David Britt, David Sinton, Theodor Agapie, Jonas C. Peters, and Edward H. Sargent. “Molecular Tuning of CO2-to-Ethylene Conversion" Nature, 2020, 577, 509-513. link (commentaries in Chemical & Engineering News, Science Daily, and Caltech News) |
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| 95) | Zachary Mathe, Dimitrios A. Pantazis, Heui Beom Lee, Richard Gnewkow, Benjamin E. Van Kuiken, Theodor Agapie, and Serena DeBeer. “Calcium Valence-to-Core X-ray Emission Spectroscopy: A Sensitive Probe of Oxo Protonation in Structural Models of the Oxygen-Evolving Complex" Inorg. Chem., 2019, 58, 16292-16301. link |
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| 94) | Charles H. Arnett, Jens T. Kaiser, and Theodor Agapie. “Remote Ligand Modifications Tune Electronic Distribution and Reactivity in Site-Differentiated, High-Spin Iron Clusters: Flipping Scaling Relationships" Inorg. Chem., 2019, 58, 15971-15982. link |
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| 93) | Arnaud Thevenon, Alonso Rosas-Hernández, Jonas Peters, and Theodor Agapie. “In-situ Nanostructuring and Stabilization of Polycrystalline Copper by an Organic Salt Additive Promotes Electrocatalytic CO2 Reduction to Ethylene" Angew. Chem. Int. Ed., 2019, 58, 16952-16958. link |
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| 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 |
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| 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 |
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| 90) | Christopher Reed and Theodor Agapie. “A Terminal FeIII-Oxo in a Tetranuclear Cluster: Effects of Distal Metal Centers on Structure and Reactivity" J. Am. Chem. Soc., 2019, 141, 9479-9484. link |
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| 89) | Heui Beom Lee and Theodor Agapie. “Redox Tuning via Ligand-Induced Geometric Distortions at a YMn3O4 Cubane Model of the Biological Oxygen Evolving Complex" Inorg. Chem., 2019, 58, 14998-15003. link |
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| 88) | Heui Beom Lee, Paul H. Oyala, and Theodor Agapie. “Synthesis, Electronic Structure, and Spectroscopy of Multinuclear Mn Complexes Relevant to the Oxygen Evolving Complex of Photosystem II; in Oxygen Production and Reduction in Artificial and Natural Systems; James Barber, Alexander V. Ruban, and Peter J. Dixon, Ed.; World Scientific: Singapore, 2019; pp. 259-283. link |
| 87) | Nathanael A. Hirscher, Danny Perez Sierra, and Theodor Agapie. “Robust Chromium Precursors for Catalysis: Isolation and Structure of a Single-Component Ethylene Tetramerization Precatalyst" J. Am. Chem. Soc., 2019, 141, 6022-6029. link |
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| 86) | Davide Lionetti, Sandy Suseno, Emily Y. Tsui, Luo Lu, Troy A. Stich, Kurtis M. Carsch, Robert J. Nielsen, William A. Goddard, III, R. David Britt, and Theodor Agapie. “Effects of Lewis Acidic Metal Ions (M) on Oxygen-Atom Transfer Reactivity of Heterometallic Mn3MO4 Cubane and Fe3MO(OH) and Mn3MO(OH) Clusters" Inorg. Chem., 2019, 58, 2336-2345. link |
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| 85) | Nathanael A. Hirscher, Jay A. Labinger, and Theodor Agapie. “Isotopic Labelling in Ethylene Oligomerization: Addressing the Issue of 1-Octene vs. 1-Hexene Selectivity" Dalton Trans., 2019, 48, 40-44. link |
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| 84) | Heui Beom Lee, Angela A. Shiau, Paul H. Oyala, David A. Marchiori, Sheraz Gul, Ruchira Chatterjee, Junko Yano, R. David Britt, and Theodor Agapie. “Tetranuclear [MnIIIMn3IVO4] Complexes as Spectroscopic Models of the S2 State of the Oxygen Evolving Complex in Photosystem II” J. Am. Chem. Soc., 2018, 140, 17175-17187. link |
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| 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 |
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| 82) | Choon Heng Low, Jeffrey N. Rosenberg, Marco A. Lopez, and Theodor Agapie. “Oxidative Coupling with Zr(IV) Supported by a Non-Innocent Anthracene-Based Ligand: Application to the Catalytic Cotrimerization of Alkynes and Nitriles to Pyrimidines” J. Am. Chem. Soc., 2018, 140, 11906-11910. link |
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| 81) | Christopher J. Reed and Theodor Agapie. “Thermodynamics of Proton and Electron Transfer in Tetranuclear Clusters with Mn-OH2/OH Motifs Relevant to H2O Activation by the Oxygen Evolving Complex in Photosystem II” J. Am. Chem. Soc., 2018, 140, 10900-10908. link |
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| 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 |
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| 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 |
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| 78) | Charles H. Arnett, Matthew J. Chalkley, and Theodor Agapie. “A Thermodynamic Model for Redox-Dependent Binding of Carbon Monoxide at Site-Differentiated, High Spin Iron Clusters” J. Am. Chem. Soc. 2018, 140, 5569-5578. link |
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| 77) | Naoki Shida, Joshua A. Buss, and Theodor Agapie. “Mild electrochemical synthesis of metal phosphides with dibenzo-7-phosphanorbornadiene derivatives: mechanistic insights and application to proton reduction in water” Chem. Commun. 2018, 54, 767-770. link |
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| 76) | Nathanael A. Hirscher and Theodor Agapie. “Stoichiometrically Activated Catalysts for Ethylene Tetramerization using Diphosphinoamine-Ligated Cr Tris(hydrocarbyl) Complexes” Organometallics 2017, 36, 4107-4110. link |
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| 75) | Christopher J. Reed and Theodor Agapie. “Tetranuclear Fe Clusters with a Varied Interstitial Ligand: Effects on the Structure, Redox Properties, and Nitric Oxide Activation” Inorg. Chem. 2017, 56, 13360-13367. link |
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| 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 |
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| 73) | Markus Kubin, Jan Kern, Sheraz Gul, Thomas Kroll, Ruchira Chatterjee, Heike Löchel, Franklin D. Fuller, Raymond G. Sierra, Wilson Quevedo, Christian Weniger, Jens Rehanek, Anatoly Firsov, Hartawan Laksmono, Clemens Weninger, Roberto Alonso-Mori, Dennis L. Nordlund, Benedikt Lassalle-Kaiser, James M. Glownia, Jacek Krzywinski, Stefan Moeller, Joshua J. Turner, Michael P. Minitti, Georgi L. Dakovski, Sergey Koroidov, Anurag Kawde, Jacob S. Kanady, Emily Y. Tsui, Sandy Suseno, Zhiji Han, Ethan Hill, Taketo Taguchi, Andrew S. Borovik, Theodor Agapie, Johannes Messinger, Alexei Erko, Alexander Föhlisch, Uwe Bergmann, Rolf Mitzner, Vittal K. Yachandra, Junko Yano, and Philippe Wernet. “Soft x-ray absorption spectroscopy of metalloproteins and high-valent metal-complexes at room temperature using free-electron lasers” Structural Dynamics 2017, 4, 054307. link |
| 72) | Graham de Ruiter, Kurtis M. Carsch, Michael K. Takase, and Theodor Agapie. “Selectivity of C-H versus C-F Bond Oxygenation by Homo- and Heterometallic Fe4, Fe3Mn, and Mn4 Clusters” Chem. Eur. J. 2017, 23, 10744-10749. link |
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| 71) | Zhiji Han, Ruud Kortlever, Hsiang-Yun Chen, Jonas C. Peters, and Theodor Agapie. “CO2 Reduction Selective for C≥2 Products on Polycrystalline Copper with N-Substituted Pyridinium Additives” ACS Central Science 2017 3, 853-859. link |
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| 70) | Kurtis M. Carsch, Graham de Ruiter, and Theodor Agapie. “Intramolecular C-H and C-F Bond Oxygenation by Site-Differentiated Tetranuclear Manganese Models of the OEC” Inorg. Chem. 2017, 56, 9044-9054. link |
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| 69) | Zhiji Han, Kyle T. Horak, Heui Beom Lee, and Theodor Agapie. “Tetranuclear Manganese Models of the OEC Displaying Hydrogen Bonding Interactions: Application to Electrocatalytic Water Oxidation to Hydrogen Peroxide” J. Am. Chem. Soc. 2017, 139, 9108-9111. link |
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| 68) | Jessica Sampson, Gyeongshin Choi, Muhammed Naseem Akhtar, E. A. Jaseer, Rajesh Theravalappil, Hassan Ali Al-Muallem, and Theodor Agapie. “Olefin Polymerization by Dinuclear Zirconium Catalysts Based on Rigid Teraryl Frameworks: Effects on Tacticity and Copolymerization Behavior” Organometallics 2017, 36, 1915-1928. link |
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| 67) | Heui Beom Lee, Emily Y. Tsui, and Theodor Agapie. “CaMn4O2 model of the biological oxygen evolving complex: synthesis by cluster expansion on low symmetry ligand” Chem. Commun. 2017, 53, 6832-6835. link |
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| 66) | Alejo M. Lifschitz, Nathanael A. Hirscher, Heui Beom Lee, Joshua A. Buss, and Theodor Agapie. “Ethylene Tetramerization Catalysis: Effects of Aluminum-Induced Isomerization of PNP to PPN Ligands” Organometallics 2017, 36, 1640-1648. link |
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| 65) | Graham de Ruiter, Kurtis M. Carsch, Sheraz Gul, Ruchira Chatterjee, Niklas B. Thompson, Michael K. Takase, Junko Yano, and Theodor Agapie. “Accelerated Oxygen Atom Transfer and C-H Bond Oxygenation by Remote Redox Changes in Fe3Mn-Iodosobenzene Adducts” Angew. Chem. Int. Ed. 2017, 129, 4850-4854. link |
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| 64) | Suho Jung, Ruud Kortlever, Ryan J. R. Jones, Michael F. Lichterman, Theodor Agapie, Charles C. L. McCrory, and Jonas Peters. “Gastight Hydrodynamic Electrochemistry: Design for a Sealed Rotating Disk Electrode Cell” Anal. Chem. 2017, 89, 581-585. link |
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| 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 |
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| 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 |
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| 61) | Po-Heng Lin, Emily Y. Tsui, Fatemah Habib, Muralee Murugesu, and Theodor Agapie “Effect of the Mn Oxidation State on Single-Molecule-Magnet Properties: MnIII vs MnIV in Biologically Inspired DyMn3O4 Cubanes” Inorg. Chem. 2016, 55, 6095-6099. link |
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| 60) | Justin T. Henthorn and Theodor Agapie “Modulation of Proton-Coupled Electron Transfer through Molybdenum-Quinonoid Interactions” Inorg. Chem. 2016, 55, 5337-5342. link |
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| 59) | Davide Lionetti, Graham de Ruiter, and Theodor Agapie “A Trans-Hyponitrite Intermediate in the Reductive Coupling and Deoxygenation of Nitric Oxide by a Tricopper-Lewis Acid Complex” J. Am. Chem. Soc. 2016, 138, 5008-5011. link |
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| 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 |
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| 57) | Graham de Ruiter, Niklas B. Thompson, Michael K. Takase, and Theodor Agapie “Intramolecular C-H and C-F Bond Oxygenation Mediated by a Putative Terminal Oxo Species in Tetranuclear Iron Complexes” J. Am. Chem. Soc. 2016, 138, 1486-1489. link |
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| 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 |
| 55) | Jacob S. Kanady, Jose Mendoza-Cortes, William A. Goddard III, and Theodor Agapie. “Oxygen-Evolving Complex of Photosystem II: Insights from Computation and Synthetic Models” in Metalloproteins: Structure, Functions, and Interactions; Art E. Cho and William A. Goddard III, Ed.; CRC Press: Boca Raton, FL, 2015; pp. 165-204. |
| 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 |
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| 53) | Graham de Ruiter, Niklas B. Thompson, Davide Lionetti, and Theodor Agapie “Nitric Oxide Activation by Distal Redox Modulation in Tetranuclear Iron Nitrosyl Complexes” J. Am. Chem. Soc. 2015, 137, 14094-14106. link |
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| 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 |
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| 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 |
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| 50) | Sandy Suseno, Charles C. L. McCrory, Rosalie Tran, Sheraz Gul, Junko Yano, and Theodor Agapie “Molecular Mixed-Metal Manganese Oxido Cubanes as Precursors to Heterogeneous Oxygen Evolution Catalysts” Chem. Eur. J. 2015, 21, 13420-13430. link |
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| 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 |
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| 48) | Po-Heng Lin, Michael K. Takase, and Theodor Agapie “Investigations of the Effect of the Non-Manganese Metal in Heterometallic-Oxido Cluster Models of the Oxygen Evolving Complex of Photosystem II: Lanthanides as Substitutes for Calcium” Inorg. Chem. 2015, 54, 59-64. link |
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| 47) | Vlad Martin-Diaconescu, Marcello Gennari, Bertrand Gerey, Emily Tsui, Jacob Kanady, Rosalie Tran, Jacques Pécaut, Dimitrios Maganas, Vera Krewald, Eric Gouré, Carole Duboc, Junko Yano, Theodor Agapie, Marie-Noelle Collomb, and Serena DeBeer “Ca K-Edge XAS as a Probe of Calcium Centers in Complex Systems” Inorg. Chem. 2015, 54, 1283-1292. link |
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| 46) | Davide Lionetti and Theodor Agapie “Inorganic Chemistry: How Calcium Affects Oxygen Formation” Nature 2014. 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 |
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| 44) | Jacob S. Kanady, Po-Heng Lin, Kurtis M. Carsch, Robert J. Nielsen, Michael K. Takase, William A. Goddard III, and Theodor Agapie “Towards Models for the Full Oxygen-Evolving Complex of Photosystem II by Ligand Coordination to Lower the Symmetry of the Mn3CaO4 Cubane: Demonstration that Electronic Effects Facilitate Binding of a Fifth Metal” J. Am. Chem. Soc. 2014, 136, 14373-14376. link |
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| 43) | Joshua A. Buss, Guy A. Edouard, Christine Cheng, Jade Shi, and Theodor Agapie “Molybdenum Catalyzed Ammonia Borane Dehydrogenation: Oxidation State Specific Mechanisms” J. Am. Chem. Soc. 2014, 136, 11272-11275. link |
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| 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) |
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| 41) | Madalyn R. Radlauer and Theodor Agapie “Bimetallic Zirconium Amine Bis(phenolate) Polymerization Catalysts: Enhanced Activity and Tacticity Control for Polyolefin Synthesis” Organometallics 2014, 33, 3247-3250. link |
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| 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 |
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| 39) | David E. Herbert, Davide Lionetti, Jonathan Rittle, and Theodor Agapie “Heterometallic Triiron-Oxo/Hydroxo Clusters: Effect of Redox-Inactive Metals” J. Am. Chem. Soc. 2013, 135, 19075-19078. link |
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| 38) | Emily Y. Tsui, Jacob S. Kanady, and Theodor Agapie “Synthetic Cluster Models of Biological and Heterogeneous Manganese Catalysts for O2 Evolution” Inorg. Chem. 2013, 52, 13833-13848. link (Award Paper also featured on the cover) |
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| 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 |
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| 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 |
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| 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 |
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| 34) | Jacob S. Kanady, Rosalie Tran, Jamie A. Stull, Luo Lu, Troy A. Stich, Michael W. Day, Junko Yano, David R. Britt, and Theodor Agapie “Role of Oxido Incorporation and Ligand Lability in Exapanding Redox Accessibility of Structurally Related Mn4 Clusters” Chem. Sci. 2013, 4, 3986-3996. link |
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| 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 |
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| 32) | Paul Kelley, Michael W. Day, and Theodor Agapie “Hydrogen Evolution Catalyzed by Aluminum-Bridged Cobalt Diglyoximate Complexes” Eur. J. Inorg. Chem. 2013, 3840-3845. link (special issue on small-molecule activation by reactive metal complexes; article featured on the cover with cover profile) |
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| 31) | Emily Y. Tsui and Theodor Agapie “Reduction Potentials of Heterometallic Manganese-Oxido Cubane Complexes Modulated by Redox-Inactive Metals” Proc. Natl. Acad. Sci. U.S.A. 2013, 110, 10084-10088. link |
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| 30) | Madalyn R. Radlauer, Aya K. Buckley, Lawrence M. Henling, and Theodor Agapie “Bimetallic Coordination Insertion Polymerization of Unprotected Polar Monomers: Copolymerization of Amino Olefins and Ethylene by Dinickel Bisphenoxyiminato Catalysts” J. Am. Chem. Soc. 2013, 135, 3784-3787. link |
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| 29) | Emily Y. Tsui, Rosalie Tran, Junko Yano, and Theodor Agapie “Redox-inactive metals modulate the reduction potential in heterometallic manganese—oxido clusters” Nature Chem. 2013, 5, 293-299. link (commentaries in Nature Chemistry and Caltech News) |
| 28) | Jacob S. Kanady, Jose L. Mendoza-Cortes, Emily Y. Tsui, Robert J. Nielsen, William A. Goddard, III, and Theodor Agapie “Oxygen Atom Transfer and Oxidative Water Incorporation in Cuboidal Mn3MOn Complexes Based on Synthetic, Isotopic Labeling, and Computational Studies” J. Am. Chem. Soc. 2013, 135, 1073-1082. link |
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| 27) | Davide Lionetti, Michael W. Day, and Theodor Agapie “Metal-Templated Ligand Architectures for Trinuclear Chemistry: Tricopper Complexes and Their O2 Reactivity” Chem. Sci. 2013, 4, 785-790. link |
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| 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 |
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| 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 |
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| 24) | Madalyn R. Radlauer, Michael W. Day, and Theodor Agapie “Dinickel Bisphenoxyiminato Complexes for the Polymerization of Ethylene and α-Olefins” Organometallics, 2012, 31, 2231-2243. link |
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| 23) | Madalyn R. Radlauer, Michael W. Day, and Theodor Agapie “Bimetallic Effects on Ethylene Polymerization in the Presence of Amines: Inhibition of the Deactivation by Lewis Bases” J. Am. Chem. Soc. 2012, 134, 1478-1481. link |
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| 22) | Charlotte A. Whited, Jeffrey J. Warren, Katherine D. Lavoie, Emily E. Weiner, Theodor Agapie, Jay R. Winkler, and Harry B. Gray “Gating NO Release from Nitric Oxide Synthase” J. Am. Chem. Soc. 2012, 134, 27-30. link |
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| 21) | Jacob S. Kanady, Emily Y. Tsui, Michael W. Day, and Theodor Agapie “A Synthetic Model of the Mn3Ca Subsite of the Oxygen-Evolving Complex in Photosystem II” Science 2011, 333, 733-736. link (commentaries in Chemical & Engineering News, Chemistry World, and Education in Chemistry) |
| 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 |
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| 19) | Emily Y. Tsui, Jacob S. Kanady, Michael W. Day, and Theodor Agapie “Trinuclear First Row Transition Metal Complexes of a Hexapyridyl, Trialkoxy 1,3,5-Triarylbenzene Ligand” Chem. Commun. 2011, 47, 4189-4191 link |
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| 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 |
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| 17) | Emily Y. Tsui, Michael W. Day, and Theodor Agapie “Trinucleating Copper: Synthesis and Magnetostructural Characterization of Complexes Supported by a Hexapyridyl 1,3,5-Triarylbenzene Ligand” Angew. Chem. Int. Ed. 2011, 50, 1668-1672 link |
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| 16) | Theodor Agapie “Selective Ethylene Oligomerization: Recent Advances in Chromium Catalysis and Mechanistic Investigations” Coord. Chem. Rev. 2011, 255, 861-880. link |
| 15) | Sibo Lin and Theodor Agapie “Cross-Coupling Chemistry at Mononuclear and Dinuclear Nickel Complexes” Synlett 2011, 1, 1-5. 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 |
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| Undergraduate, Graduate, and Post-Doctoral Work ↓ | |
| 13) | Ian A. Tonks, Daniel Tofan, Edward C. Weintrob, Theodor Agapie, and John E. Bercaw “Zirconium and Titanium Propylene Polymerization Precatalysts Supported by a Fluxional C2-Symmetric Bis(anilide)pyridine Ligand” Organometallics 2012, 31 1965-1974. link |
| 12) | Theodor Agapie, Sandy Suseno, Joshua J. Woodward, Stefan Stoll, R. David Britt, and Michael A. Marletta “NO formation by a catalytically self-sufficient bacterial nitric oxide synthase from Sorangium cellulosums” Proc. Natl. Acad. Sci. USA 2009, 106 (38), 16221-16226. 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 |
| 10) | Theodor Agapie, Lawrence M. Henling, Antonio G. DiPasquale, Arnold L. Rheingold, and John E. Bercaw “Zirconium and Titanium Complexes Supported by Tridentate LX2 Ligands having Two Phenolates Linked to Furan, Thiophene, and Pyridine Donors: Precatalysts for Propylene Polymerization and Oligomerization” Organometallics 2008, 27 (23), 6245-6256. link |
| 9) | Theodor Agapie, Jay A. Labinger, and John E. Bercaw “Mechanistic Studies of Olefin Trimerization with Chromium Catalysts – Deuterium Labeling and Studies of Regiochemistry Using a Model Cromacyclopentane Complex” J. Am. Chem. Soc. 2007, 129 (46), 14281-14295. 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 |
| 6) | Theodor Agapie, Michael W. Day, Lawrence M. Henling, Jay A. Labinger, and John E. Bercaw “A Chromium Diphosphine System for Catalytic Ethylene Trimerization: Synthetic and Structural Studies of Chromium Complexes with a Nitrogen-Bridged Diphosphine Ligand with ortho-Methoxyaryl Substituents” Organometallics 2006, 25 (11), 2733-2742. link |
| 5) | Theodor Agapie, Susan J. Schofer, Jay A. Labinger, and John E. Bercaw “Mechanistic Studies of the Ethylene Trimerization Reaction with Chromium – Diphosphine Catalysts: Experimental Evidence for a Mechanism Involving Metallacyclic Intermediates” J. Am. Chem. Soc. 2004, 126 (5), 1304-1305. 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 |
Patents
| 5) | Agapie T.; Xiong, S.; Bailey, B. C.; Spinney, H. A.; Nett, A. J.; Wilson, D. R.; Klosin, J. "Bis (Phosphino)–Phenoxy Nickel (II) Catalysts for the Copolymerization of Ethylene and Acrylate Monomers" Serial Number: PCT/US2020/046767, Filed: 8/18/2020. |
| 4) | Agapie, T.; Rosas-Hernandez, A.; Li, F.; Peters, J. C.; Sargent, E. H.; Thevenon, A "The Stabilization ofa CO-Bound Intermediate via Molecular Tuning Promotes CO2-to-Ethylene Conversion" Serial Number: PCT/US2020/041583, Filed: 7/10/2020. |
| 3) | Han, Z.; Kortlever, R.; Chen, H.-C.; Peters, J.C.; Agapie, T.; Rosas-Hernandez, J.A.; Thevenon, A. "Product Selectivity for CO2 Reduction" Patent Serial Number:15/950,150, Filed: 4/10/2018. |
| 2) | Radlauer, M.; Wiensch, J.D.; Buckley, A.K.; Agapie, T. "Multi-metallic organometallic complexes, and related polymers, compositions, methods and systems" Patent 9233996. |
| 1) | Agapie, T.; Golisz, S.R.; Tofan, D.; Bercaw, J.E. "Non-metallocene organometallic complexes and related methods and systems" Patent US007847099. |
Ch102 (S'09, S'10, S'11, S'12, S'13, S'14, S'15, S'16, S'17, Spring 2018)
Intro to Inorganic Chemistry
Ch112 (F'15, F'16, F'17, F'18 Fall 2019)
Inorganic Chemistry
Ch154a (Winter 2020)
Organometallic Chemistry
Course websiteCh212a (S'10, S'12, Spring 2014)
Bioinorganic Chemistry
Course websiteCh5b (F'10, F'11, F'12, F'13, F'16 Fall 2018)
Advanced Techniques of Synthesis and Analysis
Coordination and Organometallic Compounds
Course ManualHandling of Organometallic Compounds
Swivel Frit Operation (video by Jeff Byers)
 |
Office: 314 Noyes Laboratory: 301-309 Noyes Phone: 626-395-3617 Fax: 626-395-4676 E-mail (at caltech.edu): agapie Administrative Assistant: Margarita Davis Office: Noyes 134 Phone: 626-395-6856 E-mail (at caltech.edu): davism Mailing address: Department of Chemistry, MC 127-72 1200 East California Boulevard California Institute of Technology Pasadena, CA 91125 |
Theodor Agapie was born in 1979 in Bucharest, Romania. He received his B.Sc. degree from Massachusetts Institute of Technology in 2001 and his Ph.D. from California Institute of Technology in 2007. Upon completion of his Ph.D. he moved to University of California, Berkeley as a Miller Postdoctoral Fellow.
Theo developed his passion for chemistry during high school and participated in chemistry competitions; he won two silver medals at the International Chemistry Olympiads as part of the Romanian team. While an undergraduate at MIT, he worked with Professor Christopher C. Cummins for more that three and a half years on atom and fragment transfer chemistry involving metal complexes, on titanium-ketyl radical chemistry, and on DFT computations to detail the electronic structure of synthesized complexes. At graduation, he received the Chemistry Department's Alpha Chi Sigma Award for achievement in research, scholarship, and service to the department. At Caltech, Theo worked under the tutelage of Professor John E. Bercaw on mechanistic and synthetic aspects of chromium-based olefin oligomerization catalysis and on developing new early transition metal nonmetallocene olefin polymerization catalysts. His Ph.D. thesis received Caltech's Chemistry Department Herbert Newby McCoy Award for outstanding contribution to the science of chemistry. Upon graduation, in May 2007, Theo moved to UC Berkeley to work with Professor Michael A. Marletta as a Miller Institute Fellow. There, he focused on mechanistic aspects of biochemical nitric oxide synthesis involving the metalloprotein nitric oxide synthase.
Theo returned to Caltech on February 11, 2009 to start his independent career as Assistant Professor of Chemistry. He was promoted to Professor of Chemistry in December, 2014. Selected awards include the Searle Award (2010), Sloan Fellowship (2012), NSF CAREER Award (2012), ACS Award in Pure Chemistry (2013), Presidential Early Career Award for Scientists and Engineers (PECASE, 2014), and Dreyfus Teacher-Scholar Award (2014).
Post-Doctoral Scholars
 | Matthew Espinosa Yale University, Ph.D. '21 University of Florida, B.S. '16 mrespino |
 | Paramita Saha Indian Association for the Cultivation of Science, Ph.D. '23 Jadavpur University, M.Sc. '17 Jadavpur University, B.Sc. '15 paramita |
 | Chengbo Yang Shanghai Institute of Organic Chemistry, Ph.D. '23 Nankai University, B.S. '18 yangcb |
Graduate Students
 | Tianyi (Mike) He Colgate University '19 B.A. Chemistry and Philosophy thhe |
 | Fernando Guerrero The University of New Mexico '21 B.S. Chemistry fguerrer |
 | Matthew Salazar University of California, Santa Barbara '21 B.S. Chemical Engineering msalaza2 |
 | Krista Dong Wellesley '20 B.A. Chemistry kdong |
 | Adjeoda Tekpor Amherst College '22 B.A. Chemistry and Mathematics atekpor |
| Jocelyn Zhang Columbia University '22 B.A. Chemistry jyzhang |
 | Maxim Zhelyabovskiy Georgia Institute of Technology '22 B.Sc. Chemical and Biomolecular Engineering mzhelyab |
 | Elena Urquiola Yale University '23 B.S. Chemistry eurquiol |
 | Zikai Xu Fudan University '23 B.S. Chemistry zkxu |
Undergraduate Students
 | Aadarsh Balaji Caltech '26 aadhu |
 | Sulaiman AlKadi Caltech '27 salkadi |
| Alan Song Caltech '27 asong2 |
 | David Welt Caltech '27 dwelt |
Post-Doctoral Alumni
 | Priyabrata Ghana Now: Assistant Professor IIT Gandhinagar, India Postdoctoral Researcher - RWTH Aachen University, 2018-2021 University of Bonn, Ph.D. '17 Indian Institute of Technology, Kanpur, M.Sc. '11 University of Calcutta, B.Sc. '09 |
 | Weixuan Nie Now: Assistant Professor Westlake University, China University of Michigan, Ph.D. '21 Nanjing Univeristy, M.Sc. '15 B.S. '12 |
 | Hai Dong Now: Intel. San Francisco, CA University of Michigan, Ph.D. '21 University of Cincinnati, B.S. '16 |
 | Yueshen Wu Now: Twelve; Berkeley, CA Yale University, Ph.D. '20 Hong Kong University of Science and Technology, B.S. '15 |
 | Manar Shoshani Now: Assistant Professor University of Texas Rio Grande Valley Shoshani Group Website University of Windsor, Ph.D. '18, B.S. '13 |
 | Gwen Bailey Now: Assistant Professor University of Minnesota Twin Cities Bailey Group Website University of Ottawa, Ph.D. '18 University of British Columbia, B.S. '12 |
 | Arnaud Thevenon Now: Assistant Professor Utrecht University Thevenon Group Website University of Oxford, Ph.D. '17 École Polytechnique Fédérale de Lausanne M.Sc. '13, B.S. '11 |
 | Hsiang-Yun Chen (Joint with Peters Group) Now: Formosa Plastics Texas A&M University Ph.D. '12 National Taiwan University B.S. '06 |
 | Gyeongshin Choi Now: LG Osaka University Ph.D. '14 Ajou University B.S. '08 |
 | Zhiji Han Now: Professor - Sun-Yat Sen University University of Rochester Ph.D. '14 Shantou University B.S. '06 |
 | Dave E. Herbert Now: Assistant Professor - University of Manitoba, Canada Herbert Group Website University of Bristol Ph.D. '10 University of Toronto M.Sc. '06 University of King's College B.S. '04 |
 | Ruud Kortlever Now: Assistant Professor - Delft University of Technology Leiden University Ph.D. '15, M.Sc. '11, B.S. '09 |
 | Alejo Lifschitz Now: Dow Northwestern University Ph.D. '15 Dickinson College B.S. '10 |
 | Po-Heng Lin Now: Assistant Professor - National Chung Hsing University, Taiwan Lin Group Website University of Ottawa Ph.D. '12 National Tsing Hua University M.S. '04 National Chung Cheng University B.S. '02 |
 | Siti Riduan Now: A-Star Institute of Bioengineering and Nanotechnology Research Scientist National University of Singapore Ph.D. '13 B.S. Chemistry '05 |
 | Graham de Ruiter Now: Assistant Professor - Technion - Israel Institute of Technology de Ruiter Group Website Weizmann Institute of Science Ph.D. '14 Leiden University B.S. '08 |
 | Naoki Shida Now: Assistant Professor, Tokyo Institute of Technology Tokyo Institute of Technology Ph.D. '16 Yokohama National University B.S. '11 nshida |
Graduate Alumni
 | Meaghan Bruening Now: Postdoc, Argonne National Labratory Caltech, Ph.D. '24 St. Catherine University '17 B.S. Chemistry mbruenin |
 | Linh Nguyen Vuong Le Now: Postdoc, University of Chicago Caltech, Ph.D. '24 Colgate University '18 B.A. Chemistry and Physics |
 | Gavin Heim Now: Intel, Hillsboro, OR Caltech Ph.D. '24 University of California, San Diego '18 B.S. Biochemistry and Chemistry |
 | Anna Scott Now: Postdoc, Max Planck Institute for Chemical Energy Conversion Caltech Ph.D. '23 Montana State University '17 B.S. Chemistry |
 | Angela Shiau Now: Postdoc, UC Davis Caltech Ph.D. '23 UC Berkeley '17 B.S. Chemistry |  | Shuoyan Xiong Now: Postdoc, UC Berkeley Caltech Ph.D. '23 USTC '17 B.E. Polymer Materials & Engineering |
 | Ryan Ribson Caltech Ph.D. '22 (Hadt Lab) University of Rochester '14 B.S. Chemistry |
 | Charlie Arnett Now: Jones Day, Washington, D.C. Caltech Ph.D. '20 Georgetown University '15 B.S. Chemistry |
 | Heui Beom Lee Now: Postdoc, UC Berkeley Caltech Ph.D. '19 University of Pennsylvania '13 B.S.E. Chemical Engineering and Chemistry |
 | Choon Heng Low (Marcus) Now: Experimental Drug Development Centre, Singapore Caltech Ph.D. '19 Imperial College '12 B.S. Chemistry clow |
 | Jessica Sampson Now: Postdoc, Princeton University Caltech Ph.D. '18 University of Chicago '13 B.S. Chemistry |
 | Chris Reed Now: Postdoc, University of Illinois at Urbana-Champaign Caltech Ph.D. '19 Idaho State University '13 B.S. Chemistry and Biochemistry |
 | Nate Hirscher Now: Assistant Professor of Chemistry, Montclair State University Caltech Ph.D. '19 University of Virginia '14 B.S. Chemistry |
 | Joshua Buss Now: Assistant Professor, University of Michigan Buss Group Website Caltech Ph.D. '18 Claremont McKenna College '12 B.A. Chemistry |
 | Steven Chao Caltech M.S. '11 University of Texas B.S. '08 |
 | Guy A. Edouard Now: Intel Caltech Ph.D. '15 Harvard College B.A. '10 |
 | Justin Henthorn Now: Post-Doctoral Scholar, Max Planck Institute Caltech Ph.D. '16 Ohio University B.S. '10 |
 | Kyle Horak Now: Intel Caltech Ph.D. '16 Cornell University B.A. '10 |
 | Jacob Kanady Now: Post-Doctoral Scholar, UC Berkeley Caltech Ph.D. '14 UC Irvine B.S. '09 |
 | Paul Kelley Now:Assistant Professor, Philander Smith College Caltech Ph.D. '14 Catholic University of America B.S. '08 |
 | Sibo Lin Now: Post-Doctoral Scholar, MIT Caltech Ph.D. '14 Indiana University B.S. '08 |
 | Davide Lionetti Now:Assistant Professor, Franklin & Marshall College Caltech Ph.D. '15 University of Notre Dame B.S. '09 |
 | Madalyn Radlauer Now: Assistant Professor - San José State University Radlauer Group Website Post-Doctoral Scholar, University of Minnesota Caltech Ph.D. '14 Stanford University B.S. '08 |
 | Sandy Suseno Now: Intel Caltech Ph.D. '14 UC Berkeley B.S. '08 |
 | Emily Tsui Now: Assistant Professor - University of Notre Dame Tsui Group Website Post-Doctoral Scholar, University of Washington Caltech Ph.D. '14 MIT S.B. '08 |
Undergraduate Alumni
 | Louis Bercaw University of Alabama '26 lbercaw |
 | Alexandria Hong Now: Graduate Student - MIT Caltech '23 alexandriahong |
 | Nicholas Roubineau Post Baccalaureate Student 2021-2022 San Jose State Univeristy '21 |
 | Tyler Fox Caltech '24 tfox |
 | Mya Serrano WAVE Fellow 2021 Rutgers Univeristy '22 |
 | David Dumas WAVE Fellow 2021 UCLA '22 |
 | Vidhya Dev Now: Graduate Student - Harvard Caltech '21 vdev |
 | Adrian Huang Now: Graduate Student - UC Berkeley Caltech '20 ajhuang |
 | Elisabeth Gallmeier Caltech '21 egallmei |
 | Elin Kang Caltech '23 eskang |
 | Chris Lamartina Now: Graduate Student - Columbia Caltech '19 clamarti |
 | Sophie Whitmeyer Now: Graduate Student - UChicago Caltech '19 swhitmey |
 | Matthew Zeitlin Caltech '21 mzeitlin |
 | Jules Oppenheim Now: Graduate Student - MIT Caltech '21 joppenhe |
 | David Adams Caltech '20 |
 | Rita Aksenfeld Caltech '20 |
 | Martin Bernat University College London '10 |
 | Aya Buckley Now: Graduate Student - UC Berkeley Columbia '13 |
 | Kurtis Carsch Now: Assistant Professor - The University of Texas at Austin Carsch Group Website Post-Doctoral Scholar, UC Berkeley Harvard University Ph.D. '21 Caltech Joint B.S./M.S.'16 |
 | Gabriella Chan Caltech '20 |
 | Chung-Sun Chen Cambridge '13 |
 | Christine Cheng Now: Graduate Student - USC Caltech '14 |
 | Michael Desanker Now: Graduate Student - Northwestern University MIT '13 |
 | Bogdan Dimitriu Caltech '17 |
 | Paige Gannon Now: Graduate Student - Penn Caltech '18 pgannon |
 | Jennifer Karolewski Now: MIT Caltech '15 |
 | Daniel Kim Now: Graduate Student - Yale University Colgate '15 |
 | Nadia Lara Now: Teacher - St. Agnes Academy Rice Ph.D. Caltech '12 |
| Katherine Lee Now: Graduate Student - University of North Carolina at Chapel Hill Caltech '15 |
 | Marco Lopez Now: Graduate Student - UWisconsinMadison Cal State LA '18 |
 | Judy Mou Caltech '13 |
 | Eva Nichols Now: Assistant Professor - University of British Columbia Nichols Group Website Post-Doctoral Scholar, Yale University UC Berkeley Ph.D. '18 Caltech '12 |
 | Wei Jian Ong Caltech '13 |
 | Danny Perez The University of Texas at San Antonio '19 |
 | Diane Rafizadeh Now: Graduate Student - Penn, MD-PhD(Chem) Yale University '19 |
 | Jeffrey Rosenberg Now: Graduate Student - MIT Caltech '17 |
 | Jade Shi Now: Graduate Student - Stanford University Caltech '12 |
 | Diamond Thomas University of Michigan '18 |
 | Agnes Thorarinsdotter Now: Graduate Student - Northwestern University University of Iceland '15 |
 | Alexandra Velian Now: Assistant Professor - University of Washington Velian Group Website Post-Doctoral Scholar, Columbia University MIT Ph.D. '14 Caltech B.S. '09 |
 | Ruomeng Wan Caltech '18 rwan |
 | Andreas Wierschen Now: Graduate Student - University of North Carolina University of North Carolina '11 |
 | Abraham Yanez-McKay Now: Graduate Student - Northwestern University Michigan State University '11 |
 | Yuanchi "Victor" Zhao Yale University '13 |
Visiting Scholar Alumni
 | Aimee Bryan University of California at Davis Ph.D. '15 |
 | Naofumi Hara Graduate Student - Kyoto University naofumih |
 | Masanari Hirahara Research Associate - National Defense Academy of Japan Kyushu University Ph.D. '11 B.S. '06 hirahara |
 | Hitoshi Izu Graduate Student - SOKENDAI hitoshi |
 | Yuji Nishii Osaka University, Ph.D. |
 | Miku Oi University of Tokyo, M.Sc. '17 Tokyo University of Science, B.S. '15 miku0720 |
 | Jihae Park Ajou University Ph.D. Chemistry '14 B.S. Applied Chemistry '09 |
 | David Schmidl University of Munich |
 | Yohei Ueda Osaka University, Ph.D. |
| Davit Zargarian Professor - University of Montréal University of Ottawa, Ph.D. '92 University of Waterloo M.Sc. '87 University of Toronto B.S. '85 |
Group Photos
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June Lake Retreat February 2015
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Agapie and Marinescu Groups Trip to Piute Pass and Bishop Pass August 2014
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Kearsarge Pass Trip August 2013
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Mono Pass Trip August 2012
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Palisade Glacier Trip August 2011
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Bishop Pass Trip August 2010
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Mono Pass Trip August 2009
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Huntington Beach BBQ July 2009
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Lab Initiation February 2009
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High School Outreach May 2015
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High School Outreach May 2014
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High School Outreach May 2013
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High School Outreach May 2012
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Summer Chemistry Workshop August 2011
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Introduction.pdf
ClockReaction_InitialRates_Student.pdf
ClockReaction_InitialRates_Teacher.pdf
ClockReaction_IntegratedRateLaws_Student.pdf
ClockReaction_IntegratedRateLaws_Teacher.pdf
Data_Plots.xls
ClockReaction_InitialRates_Student.pdf
ClockReaction_InitialRates_Teacher.pdf
ClockReaction_IntegratedRateLaws_Student.pdf
ClockReaction_IntegratedRateLaws_Teacher.pdf
Data_Plots.xls
High School Outreach May 2011
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High School Outreach May 2010
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Agapie Group California Institute of Technology Pasadena, CA 91125 |
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