Publications
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[19] Geometric Tuning of Coordinatively Unsaturated Copper(I) Sites in Metal−Organic Frameworks for Ambient-Temperature Hydrogen Storage
Yuto Yabuuchi, Hiroyasu Furukawa, Kurtis M. Carsch, Ryan A. Klein, Nikolay V. Tkachenko, Adrian J. Huang, Yongqiang Cheng, Keith M. Taddei, Eric Novak, Craig M. Brown, Martin Head-Gordon, Jeffrey R. Long
J. Am. Chem. Soc. 2024, 10.1021/jacs.4c08039
(18) Selective Adsorption of Oxygen from Humid Air in a Metal–Organic Framework with Trigonal Pyramidal Copper(I) Sites
Kurtis M. Carsch, Adrian J. Huang, Matthew N. Dods, Surya T. Parker, Rachel C. Rohde, Henry Z. H. Jiang, Yuto Yabuuchi, Sarah L. Karstens, Hyunchul Kwon, Romit Chakraborty, Karen C. Bustillo, Katie R. Meihaus, Hiroyasu Furukawa, Andrew M. Minor, Martin Head-Gordon, Jeffrey R. Long
J. Am. Chem. Soc. 2024, 146, 3160
(17) Quantum Chemical Modeling of Single and Multiple Hydrogen Binding in MOFs: Validation, Insight, Predictions, and Challenges
Romit Chakraborty, Justin J. Talbot, Hengyuan Shen, Yuto Yabuuchi, Kurtis M. Carsch, Henry Z. H. Jiang, Hiroyasu Furukawa, Jeffrey R. Long, Martin Head-Gordon
Phys. Chem. Chem. Phys. 2024, 26, 6490
(16) Nitrene Transfer from a Sterically Confined Copper Complex
Kurtis M. Carsch, Sasha C. North, Ida M. DiMucci, Andrei Iliescu, Petra Vojackova, Thomas Khazanov, Shao-Liang Zheng, Thomas R. Cundari, Kyle M. Lancaster, Theodore A. Betley
Chem. Sci., 2023, 14, 10847
(15) Assessment of Adsorbate π-backbonding in Copper(I) Metal–Organic Frameworks via Multinuclear NMR Spectroscopy and Density Functional Theory Calculations
Lena M. Funke, Romit Chakraborty, Kurtis M. Carsch, Martin Head-Gordon, Jeffrey R. Long, Jeffrey A. Reimer
J. Phys. Chem. C 2023, 127, 7513
(14) Prediction of Multiple Hydrogen Ligation at a Vanadium(II) Site in a Metal–Organic Framework
Romit Chakraborty, Kurtis M. Carsch, David E. Jaramillo, Yuto Yabuuchi, Hiroyasu Furukawa, Jeffrey R. Long, Martin Head-Gordon
J. Phys. Chem. Lett. 2022, 13, 10471
(13) Reversible Scavenging of Dioxygen from Air by a Copper Complex
Kurtis M. Carsch‡, Andrei Iliescu‡, Ryan D. McGillicuddy, Jarad A. Mason, Theodore A. Betley
J. Am. Chem. Soc. 2021, 143, 18346
(12) The Crystal Structure of the RuPhos Ligand
Kurtis M. Carsch, William Ho, Kai Hin Lui, Gregory Valtierra, Dilek K. Dogutan, Daniel G. Nocera, Shao-Liang Zheng
Acta Crystallogr. E 2021, 77, 171
(11) Syntheses and Solid-state Structures of Two Cofacial (bis)dipyrrin Dichromium Complexes in Different Charge States
Kurtis M. Carsch, Shelby E. Elder, Dilek Dogutan, Daniel G. Nocera, Junyu Yang, Shao-Liang Zheng, Timothy Daniel, Theodore A. Betley
Acta Crystallogr. C 2021, 77, 161
(10) Electronic Structures and Reactivity Profiles of Aryl Nitrenoid−Bridged Dicopper Complexes
Kurtis M. Carsch, James T. Lukens, Ida M. DiMucci, Diana A. Iovan, Shao-Liang Zheng, Kyle M. Lancaster, Theodore A. Betley
J. Am. Chem. Soc. 2020, 142, 2264
(9) The Myth of d8 Copper(III)
Ida M. DiMucci, James T. Lukens, Sudipta Chatterjee, Kurtis M. Carsch, Charles J. Titus, Sang Jun Lee, Dennis Nordlund, Theodore A. Betley, Samantha N. MacMillan, Kyle M. Lancaster
J. Am. Chem. Soc. 2019, 141, 18508.
(8) Synthesis of a Copper-Supported Triplet Nitrene Complex Pertinent to Copper-Catalyzed Amination
Kurtis M. Carsch, Ida M. DiMucci, Diana A. Iovan, Alex Li, Shao-Liang Zheng, Charles J. Titus, Sang Jun Lee, Kent D. Irwin, Dennis Nordlund, Kyle M. Lancaster, Theodore A. Betley
Science 2019, 365, 1138
(7) Effects of Lewis Acidic Metal Ions (M) on Oxygen-Atom Transfer Reactivity of Heterometallic Mn3MO4 Cubane and Fe3MO(OH) and Mn3MO(OH) Clusters
Davide Lionetti, Sandy Suseno, Emily Y. Tsui, Luo Lu, Troy A. Stich, Kurtis M. Carsch, Robert J. Nielsen, William A. Goddard, R. David Britt, Theodor Agapie
Inorg. Chem. 2019, 58, 2236
(6) Intramolecular C–H and C–F Bond Oxygenation by Site-Differentiated Tetranuclear Manganese Models of the OEC
Kurtis M. Carsch, Graham de Ruiter, Theodor Agapie
Inorg. Chem. 2017, 7, 9044
(5) Selectivity of C−H vs. C−F Bond Oxygenation by Homo- and Hetero-metallic Fe4, Fe3Mn, and Mn4 Clusters.
Graham de Ruiter, Kurtis M. Carsch, Michael K. Takase, Theodor Agapie
Chem. Eur. J. 2017, 23, 10744
(4) Accelerated Oxygen Atom Transfer and C–H Bond Oxygenation by Remote Redox Changes in Fe3Mn-Iodosobenzene Adducts
Graham de Ruiter‡, Kurtis M. Carsch‡, Sheraz Gul, Ruchira Chatterjee, Niklas B. Thompson, Michael K. Takase, Junko Yano, Theodor Agapie
Angew. Chem. Int. Ed. 2017, 56, 4772
(3) Toward 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
Jacob S. Kanady, Po-Heng Lin, Kurtis M. Carsch, Robert J. Nielsen, Michael K. Takase, William A. Goddard, Theodor Agapie
J. Am. Chem. Soc. 2014, 136, 14373
(2) Variable Pathways for Oxygen Atom Insertion into Metal–Carbon Bonds: The Case of Cp*W(O)2(CH2SiMe3)
Jiajun Mei, Kurtis M. Carsch, Cody R. Freitag, T. Brent Gunnoe, Thomas R. Cundari
J. Am. Chem. Soc. 2012, 135, 424
(1) DFT modeling of a methane-to-methanol catalytic cycle via Group 6 organometallics: The role of metal in determining the mode of C–H activation
Kurtis M. Carsch, Thomas R. Cundari
Comp. Theor. Chem. 2012, 980, 133
Patents
(4) Kurtis M. Carsch, Rachel C. Rohde, Jeffrey R. Long. Isothermal π-Acid Separation with Porous Materials. US Provisional Patent Application filing in progress.
(3) Kurtis M. Carsch, Jesse L. Peltier, J. Börgel, Jeffrey R. Long. Selective Carbon Monoxide Uptake by Porous Materials with Metal Carbanions. US Provisional Patent 63/516,154 filed on June 13, 2023.
(2) Kurtis M. Carsch, Jeffrey R. Long. Direct Capture of Oxygen from Air with Porous Materials. US Provisional Patent 63/460,810 filed on April 20, 2023.
(1) Rachel C. Rohde, Kurtis M. Carsch, Jeffrey R. Long. Acidic Gas Capture through Metal–Ligand Insertion in Porous Materials at Elevated Temperatures. US Provisional Patent 63/477,976 filed on December 30, 2022.