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"Long Duration Energy Storage Using Hydrogen in Metal–Organic Frameworks: Opportunities and Challenges" Peng, P.; Jiang, H. Z. H.; Collins, S.; Furukawa, H.; Long, J. R.; Breunig, H. ACS Energy Lett. 2024, 9, 2727−2735.
"High-Capacity, Cooperative CO2 Capture in a Diamine-Appended Metal–Organic Framework through a Combined Chemisorptive and Physisorptive Mechanism" Zhu, Z. T.; Tsai, H.; Parker, S. T.; Lee, J.-H.; Yabuuchi, Y.; Jiang, H. Z. H.; Wang, Y.; Xiong, S.; Forse, A. C.; Dinakar, B.; Huang, A.; Dun, C.; Milner, P. J.; Smith, A.; Guimarães Martins, P.; Meihaus, K. R.; Urban, J. J.; Reimer, J. A.; Neaton, J. B.; Long, J. R. J. Am. Chem. Soc. 2024, 146, 6072−6083.
"Quantum Chemical Modeling of Hydrogen Binding in Metal–Organic Frameworks: Validation, Insight, Predictions and Challenges" Chakraborty, R.; Talbot, J. J.; Shen, H.; Yabuuchi, Y.; Carsch, K. M.; Jiang, H. Z. H.; Furukawa, H.; Long, J. R.; Head-Gordon, M. Phys. Chem. Chem. Phys. 2024, 26, 6490-6511.
"Selective Adsorption of Oxygen from Humid Air in a Metal–Organic Framework with Trigonal Pyramidal Copper(I) Sites" Carsch, K. M.; Huang, A. J.; Dods, M. N.; Parker, S. T.; Rohde, R. C.; Jiang, H. Z. H.; Yabuuchi, Y.; Karstens, S. L.; Kwon, H.; Chakraborty, R.; Taw, E.; Meihaus, K. R.; Furukawa, H.; Neaton, J. B.; Minor, A. M.; Head-Gordon, M.; Long, J. R. J. Am. Chem. Soc. 2024, 146, 3160-3170.
"Development of a Chemistry-Based Isotherm Model and Techno-Economic Optimization of a Moving Bed Process for CO2 Capture Using a Functionalized Metal-Organic Framework" Hughes, R.; Kotamreddy, G.; Bhattacharyya, D.; Parker, S.; Dods, M.; Long, J. R.; Omell, B.; Matuszewski, M. Chem. Eng. Sci. 2024, 287, 119679.
"Understanding 2p Core-Level Excitons of Late Transition Metals by Analysis of Mixed-Valence Copper in a Metal–Organic Framework" Wang, H.; Su, G. M.; Barnett, B. R.; Drisdell, W. S.; Long, J. R.; Prendergast, D. Phys. Chem. Chem. Phys. 2024, 26, 11980-11987.
"Cooperative Carbon Dioxide Capture in Diamine-Appended Magnesium–Olsalazine Frameworks" Zhu, Z. T.; Parker, S. T.; Forse, A. C.; Lee, J.-H.; Siegelman, R. L.; Milner, P. J.; Tsai, H.; Ye, M.; Paley, M.; Uliana, A. A.; Oktawiec, J.; Dinakar, B.; Didas, S. A.; Meihaus, K. R.; Reimer, J. A.; Neaton, J. B.; Long, J. R. J. Am. Chem. Soc. 2023, 145, 17151-17163.
"Synthesis and Crystallographic Characterization of a Reduced Bimetallic Yttrium Ansa-Metallocene Hydride Complex, [K(crypt)][(–CpAn)Y(–H)]2 (CpAn = Me2Si[C5H3(SiMe3)-3]2), with a 3.4 Å Yttrium-Yttrium Distance" Wedal, J. C.; Anderson-Sanchez, L. M.; Dumas, M. T.; Gould, C. A.; Beltrán-Leiva, M. J.; Celis-Barros, C.; Páez-Hernández, D.; Ziller, J. W.; Long, J. R.; Evans, W. E. J. Am. Chem. Soc. 2023, 145, 10730-10742.
"Assessment of Adsorbate π-backbonding in Copper(I) Metal–Organic Frameworks via Multinuclear NMR Spectroscopy and Density Functional Theory Calculations" Funke, L. M.; Chakraborty, R.; Carsch, K. M.; Head-Gordon, M.; Long, J. R.; Reimer, J. A. J. Phys. Chem. C 2023, 127, 7513-7519.
"Permanent Porosity in the Room-Temperature Magnet and Magnonic Material V(TCNE) 2" Park, J. G.; Jaramillo, D. E.; Shi, Y.; Jiang, H. Z. H.; Yusuf, H.; Furukawa, H.; Bloch, E. D.; Cormode, D. S.; Miller, J. S.; Harris, T. D.; Johnston-Halperin, E.; Flatté, M. E.; Long, J. R. ACS Cent. Sci. 2023, 9, 777-786.
"A Trinuclear Gadolinium Cluster with a Three-Center One-Electron Bond and an S = 11 Ground State" McClain, K. R.; Kwon, H.; Chakarawet, K.; Nabi, R.; Kragskow, J. G. C.; Chilton, N. F.; Britt, R. D.; Long, J. R.; Harvey, B. G. J. Am. Chem. Soc. 2023, 145, 8996-9002.
"High-Throughput Screening of Hypothetical Metal-Organic Frameworks for Thermal Conductivity" Islamov, M.; Babaei, H.; Anderson, R.; Sezginel, K.; Long, J. R.; McGaughey, A. J. H.; Gomez-Gualdron, D. A.; Wilmer, C. E. Nat. Comp. Mater. 2023, 11.
"Electron Density Analysis of Metal–Metal Bonding in a Ni4 Cluster Featuring Ferromagnetic Exchange" Stampe Leiszner, S.; Chakarawet, K.; Long, J. R.; Nishibori, E.; Sugimoto, K.; Platts, J.; Overgaard, J. Inorg. Chem. 2023, 62, 193–200.
"Strong Axiality in a Dysprosium(III) Bis(borolide) Complex Leads to Magnetic Blocking at 65 K" Vincent, A.; Whyatt, Y. L.; Chilton, N. F.; Long, J. R. J. Am. Chem. Soc. 2023, 145, in press.
"Solvent-Derived Defects Suppress Adsorption in MOF-74" Fu, Y.; Yao, Y.; Forse, A. C.; Mochizuki, K.; Long, J. R.; Reimer, J. A.; De Paëpe, G.; Kong, X. Nat. Commun. 2023, 14, 2386.
"Reactive high-spin iron(IV)-oxo sites through dioxygen activation in a metal–organic framework" Hou, K.; Börgel, J.; Jiang, H. Z. H.; Kwon, H.; Zhuang, H.; Rohde, R.; Taylor, J. W.; Chakarawet, K.; SantaLucia, D. J.; Dun, C.; Paley, M. V.; Turkiewicz, A. B.; Park, J. G.; Mao, H.; Zhu, Z.; Alp, E. E.; Zhao, J.; Hu, M.; Lavina, B.; Peredkov, S.; Lv, X.; Oktawiec, J.; Meihaus, K. R.; Pantazi, D. A.; Vandone, M.; Colombo, V.; Bill, E.; Urban, J. J.; Britt, R. D.; Grandjean, F.; Long, G. J.; DeBeer, S.; Neese, F.; Reimer, J. A.; Long, J. R. Science 2023, 382, 547-553.
"Reversible Thermal Conductivity Switching Using Flexible Metal–Organic Frameworks" Babaei, H.; Meihaus, K. R.; Long, J. R. Chem. Mater. 2023, 35, .
"A Ligand Insertion Mechanism for Cooperative Ammonia Capture in Metal–Organic Frameworks" Snyder, B. E. R.; Turkiewicz, A. B.; Velasquez, E.; Dods, M. N.; Paley, M. V.; Long, J. R. Nature 2023, 613, 287–291.
"One-Dimensional Alignment of Defects in a Flexible Metal-Organic Framework" Fu, Y; Forse, A. C.; Kang, Z.; Cliffe, M. J.; Cao, W.; Yin, J. Gao, L.; Pang, Z.; He, T.; Chen, Q.; Wang, Q.; Long, J. R.; Reimer, J. A.; Kong, X. Sci. Adv. 2023, 9, .
"Selective Scandium Ion Capture via Coordination Templating in a Covalent Organic Framework" Yuan, Y; Yang, Y.; Meihaus, K. R.; Zhang, S.; Ge, X.; Zhang, W.; Faller, R.; Long, J. R.; Zhu, G. Nat. Chem. 2023, 15, 1599–1606.
"Prediction of Multiple Hydrogen Ligation at a Vanadium(II) Site in a Metal-Organic Framework" Chakraborty, R.; Carsch, K.; Jaramillo, D. E.; Yabuuchi, Y.; Furukawa, H.; Long, J. R.; Head-Gordon, M. P. J. Chem. Phys. Lett. 2022, 13, 10471–10478.
"Divalent Lanthanide Metallocene Complexes with a Linear Coordination Geometry and Pronounced 6s-5d Orbital Mixing" McClain, K. R.; Gould, C. A.; Marchiori, D. A.; Kwon, H.; Nguyen, T. T.; Rosenkoetter, K. E.; Kuzmina, D.; Tuna, F.; Britt, R. D.; Long, J. R.; Harvey, B. G. J. Am. Chem. Soc. 2022, 144, 22193–22201.
"Probing Growth of Metal–Organic Frameworks with X-Ray Scattering and Vibrational Spectroscopy" Lu, W.; Zhang, E.; Qian, J.; Weeraratna, C.; Jackson, M. N.; Zhu, C.; Long, J. R.; Ahmed, M. Phys. Chem. Chem. Phys. 2022, 26102–26110.
"Evaluation of the Stability of Diamine-Appended Mg2(dobpdc) Frameworks to Sulfur Dioxide" Parker, S. T.; Smith, A.; Forse, A. C.; Liao, W.-C.; Brown-Altvater, F.; Siegelman, R. L.; Kim, E. J.; Zill, N. A.; Zhang, W.; Neaton, J. B.; Reimer, J. A.; Long, J. R. J. Am. Chem. Soc. 2022, 144, 19849–19860.
"A Cooperative Adsorbent for the Switch-Like Capture of Carbon Dioxide from Crude Natural Gas" Siegelman, R. L.; Thompson, J. A.; Mason, J. A.; McDonald, T. M.; Long, J. R. Chem. Sci. 2022, 13, 11772–11784.
"Metal–Organic Frameworks as O2-Selective Adsorbents for Air Separations" Jaramillo, D. E.; Jaffe, A.; Snyder, B. E. R.; Smith, A.; Taw, E.; Rohde, R.; Dods, M. N.; De Snoo, W.; Meihaus, K. R.; Harris, T. D.; Neaton, J. B.; Long, J. R. Chem. Sci. 2022, 13, 10216–10237.
"From an Antiferromagnetic Insulator to a Fermi Liquid in the Versatile Coordination Solids MCl2(pyrazine)2 (M = Ti, V)" Perlepe, P.; Oyarzabal, I.; Voigt, L.; Kubus, M.; Woodruff, D. N.; Reyes-Lillo, S. E.; Aubrey, M. L.; Negrier, P.; Wilhem, F.; Rogalev, A.; Neaton, J. B.; Long, J. R.; Mathonière, C.; Vignolle, B.; Pedersen, K. S.; Clérac, R. Nat. Commun. 2022.
"Prospects for Simultaneously Capturing Carbon Dioxide and Harvesting Water from Air" Dods, M. N.; Weston, S. C.; Long, J. R. Adv. Mater. 2022, 2204277.
"Cost and Potential of Metal–Organic Frameworks for Hydrogen Backup Power Supply" Peng, P.; Anastasopoulou, A.; Brooks, K.; Furukawa, H.; Bowden, M.; Long, J. R.; Autrey, T.; Breunig, H. Nat. Energy 2022.
"Ultrahard Magnetism from Mixed-Valence Dilanthanide Complexes with Metal-Metal Bonding" Gould, C. A.; McClain, R. A.; Reta, D.; Kragskow, J. G. C.; Marchiori, D. A.; Lachman, E.; Analytis, J. G.; Britt, R. D.; Chilton, N. F.; Harvey, B. G.; Long, J. R. Science 2022, 375, 198–202.
"Influence of the Primary and Secondary Coordination Spheres on Nitric Oxide Adsorption and Reactivity in Cobalt(II)–Triazolate Frameworks" Oktawiec, J.; Jiang, H. Z. H.; Turkiewicz, A. B.; Long, J. R. Chem. Sci. 2021, 12, 14590–14598.
"Strong Magnetocrystalline Anisotropy Arising from Metal–Ligand Covalency in a Metal–Organic Candidate for 2D Magnetic Order" Wang, Y.; Ziebel, M. E.; Sun, L.; Gish, J. T.; Pearson, T. J.; Lu, X.-Z.; Thorarinsdottir, A. E.; Hersam, M. C.; Long, J. R.; Freedman, D. E.; Rondinelli, J. M.; Puggioni, D.; Harris, T. D. Chem. Mater. 2021, 33, 8712–8721.
"Overcoming Metastable CO2 Adsorption in a Bulky Diamine-Appended Metal–Organic Framework" Dinakar, B.; Forse, A. C.; Jiang, H. Z. H.; Zhu, Z.; Lee, J.-H.; Kim, E. J.; Parker, S. T.; Pollak, C. J.; Siegelman, R. L.; Milner, P. J.; Reimer, J. A.; Long, J. R. J. Am. Chem. Soc. 2021, 143, 15258-15270.
"Observation of an Intermediate to H2 Binding in a Metal–Organic Framework" Barnett, B. R; Evans, H. A.; Su, G. M.; Jiang, H. Z. H.; Chakraborty, R.; Banyeretse, D.; Hartman, T. J.; Martinez, M. B.; Trump, B. A.; Tarver, J. D.; Dods, M. N.; Drisdell, W. S.; Hurst, K. E.; Gennett, T.; FitzGerald, S. A.; Brown, C. M.; Head-Gordon, M.; Long. J. R. J. Am. Chem. Soc. 2021, 143, 14884–14894.
"Strong Ferromagnetic Exchange Coupling and Single-Molecule Magnetism in MoS43−-Bridged Dilanthanide Complexes" Darago, L. E.; Boshart, M. D.; Nguyen, B. D.; Perlt, E.; Ziller, J. W.; Lukens, W.; Evans, W. J.; Long, J. R. J. Am. Chem. Soc. 2021, 143, 8465–8475.
"Effect of Spin-Orbit Coupling on Phonon-Mediated Magnetic Relaxation in a Series of Zero-Valent Vanadium, Niobium, and Tantalum Isocyanide Complexes" Chakarawet, K.; Ellis, J. E.; Lukens, W. W., Jr.; Young, V. G., Jr.; Chatterjee, R.; Long, J. R. Inorg. Chem. 2021, 60, 16103–16110.
"Templated Growth of a Spin-Frustrated Cluster Fragment of MnBr2 in a Metal–Organic Framework" Turkiewicz, A. B.; Tomlinson, W.; Gonzalez, M. I.; Hooper, J.; Long, J. R. Inorg. Chem. 2021, 60, 16103–16110.
"A Hard Permanent Magnet through Molecular Design" Murphy, R. A.; Long, J. R.; Harris, T. D. Commun. Chem. 2021, 4, 70.
"Ambient-Temperature Hydrogen Storage via Vanadium(II)-Dihydrogen Complexation in a Metal–Organic Framework" Jaramillo, D. E.; Jiang, H. Z. H.; Evans, H. A.; Chakraborty, R.; Furukawa, H.; Brown, C. M.; Head-Gordon, M.; Long, J. R. J. Am. Chem. Soc. 2021, 143, 6248–6256.
"Growth Modulation as a Means of Controlling Anisotropic Crystal Morphology and Molecular Diffusion in Co2(dobdc)" Colwell, K. A.; Jackson, M. N.; Torres-Gavosto, R. M.; Jawahery, S.; Vlaisavljevich, B.; Falkowski, J. M.; Smit, B.; Weston, S. C.; Long, J. R. J. Am. Chem. Soc. 2021, 143 (13), 5044-5052.
"Exchange Bias in a Layered Metal–Organic Topological Spin Glass" Murphy, R. A.; Darago, L. E.; Ziebel, M. E.; Peterson, E.; Zaia, E. W.; Mara, M. W.; Lussier, D.; Shuh, D. K.; Urban, J. J.; Neaton, J. B.; Long, J. R. ACS Cent. Sci. 2021, 7.
"Ion-Capture Electrodialysis Using Multifunctional Adsorptive Membranes" Uliana, A. A.; Bui, N. T.; Kamcev, J.; Taylor, M. K.; Urban, J. J.; Long, J. R. Science 2021, 372, 296-299.
"Fluoroarene Separations in Metal–Organic Frameworks with Two Proximal Mg2+ Coordination Sites." Zick, M. E.; Lee, J.-H.; Gonzalez, M. I.; Velasquez, E. O.; Uliana, A. A.; Kim, J.; Long, J. R.; Milner, P. J. J. Am. Chem. Soc. 2021, 143 (4), 1948–1958.
"Deep CCS: Moving Beyond 90% Carbon Dioxide Capture" Dods, M. N.; Kim, E. J.; Long, J. R.; Weston, S. C. Energy Sci. Tech 2021, 55, 8524–8324.
"Isotherm, Kinetic, and Process Modeling and Techno-Economic Analysis of a Fixed Bed Temperature Swing Adsorption Process for a Diamine-Appended Metal–Organic Framework" Hughes, R.; Kotamreddy, G.; Ostace, A.; Bhattacharyya, D.; Siegelman, R. L.; Parker, S. T.; Didas, S. A.; Long, J. R.; Omell, B.; Matuszewski, M. Energy Fuels 2021, 35 (7), 6040–6055.
"Backbonding Contributions to Small Molecule Chemisorption in a Metal–Organic Framework with Open Copper(I) Centers" Su, G. M.; Wang, H.; Barnett, B. R.; Long, J. R.; Prendergast, D.; Drisdell, W. S. Chem. Sci. 2021, 12, 2156–2164.
"Technoeconomic Analysis of Metal–Organic Frameworks for Bulk Hydrogen Transportation" Anastasopoulou, A.; Furukawa, H.; Barnett, B. R.; Jiang, H. Z. H.; Long, J. R.; Breunig, H. M. Energy Environ. Sci. 2021, 14 (3), 1083–1094.
"Isolation of a Triplet Benzene Dianion" Gould, C. A.; Marbey, J.; Vieru, V.; Marchiori, D. A.; Britt, R. D.; Chibotaru, L.; Hill, S.; Long. J. R. Nat. Chem. 2021, 13, 1001-1005.
"Magnetic Ordering via Itinerant Ferromagnetism in a Metal–Organic Framework" Park, J. G.; Collins, B. A.; Darago, L. E.; Runčevski, T.; Ziebel, M. E.; Aubrey, M. L.; Jiang, H. Z. H.; Velasquez, E.; Green, M. A.; Goodpaster, J. D.; Long, J. R. Nat. Chem. 2021, 13, 594–598.
"Hysteresis Curves Reveal Microscopic Origin of Cooperative CO2 Adsorption in Diamine-Appended Metal-Organic Frameworks" Edison, J. R.; Siegelman, R. L.; Preisler, Z.; Kundu, J.; Long, J. R.; Whitelam, S. J. Chem. Phys. 2021, 154, 214704.
"Dependence of Linker Length and Composition on Ionic Conductivity and Lithium Deposition in Single-Ion Conducting Network Polymers" Aubrey, M. L.; Axelson, J. C.; Engler, K. E.; Long, J. R. Macromolecules 2021.