Crystallizing Atomic Xenon in a Flexible MOF to Probe and Understand Its Temperature-Dependent Breathing Behavior and Unusual Gas Adsorption Phenomenon

Wang, Hao; Warren, Mark; Jagiello, Jacek; Jensen, Stephanie; Ghose, Sanjit K.; Tan, Kui; Yu, Liang; Emge, Thomas J.; Thonhauser, Timo; Li, Jing

doi:10.1021/jacs.0c09475

Title: Crystallizing Atomic Xenon in a Flexible MOF to Probe and Understand Its Temperature-Dependent Breathing Behavior and Unusual Gas Adsorption Phenomenon

Journal Article · Tue Nov 10 00:00:00 EST 2020 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.0c09475· OSTI ID:1749889

^[1]; Warren, Mark ^[2]; Jagiello, Jacek ^[3]; Jensen, Stephanie ^[4]; Ghose, Sanjit K. ^[5];

^[6]; Yu, Liang ^[7]; Emge, Thomas J. ^[8];

^[4];

^[9]

Shenzhen Polytechnic (China); Rutgers Univ., Piscataway, NJ (United States)
Diamond Light Source Ltd., Didcot (United Kingdom)
Micromeritics Instrument Corporation, Norcross, GA (United States)
Wake Forest Univ., Winston-Salem, NC (United States)
Brookhaven National Lab. (BNL), Upton, NY (United States). National Synchrotron Light Source II (NSLS-II)
Univ. of Texas at Dallas, Richardson, TX (United States)
Shenzhen Polytechnic (China)
Rutgers Univ., Piscataway, NJ (United States)
Rutgers Univ., Piscataway, NJ (United States); Shenzhen Polytechnic (China)

Flexible metal–organic frameworks (MOFs) hold great promise as smart materials for specific applications such as gas separation. These materials undergo interesting structural changes in response to guest molecules, which is often associated with unique adsorption behavior not possible for rigid MOFs. Understanding the dynamic behavior of flexible MOFs is crucial yet challenging as it involves weak host–guest interactions and subtle structural transformation not only at the atomic/molecular level but also in a nonsteady state. We report here an in-depth study on the adsorbate- and temperature-dependent adsorption in a flexible MOF by crystallizing atomic gases into its pores. Mn(ina)2 shows an interesting temperature-dependent response toward noble gases. Its nonmonotonic, temperature-dependent adsorption profile results in an uptake maximum at a temperature threshold, a phenomenon that is unusual. Full characterization of Xe-loaded MOF structures is performed by in situ single-crystal and synchrotron X-ray diffraction, IR spectroscopy, and molecular modeling. The X-ray diffraction analysis offers a detailed explanation into the dynamic structural transformation and provides a convincing rationalization of the unique adsorption behavior at the molecular scale. The guest and temperature dependence of the structural breathing gives rise to an intriguing reverse of Xe/Kr adsorption selectivity as a function of temperature. The presented work may provide further understanding of the adsorption behavior of noble gases in flexible MOF structures.

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Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States); Rutgers Univ., Piscataway, NJ (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES); National Natural Science Foundation of China (NSFC); Guangdong Natural Science Foundation; Scientific and Technical Innovation Council of Shenzhen; USDOE Office of Science (SC), Biological and Environmental Research (BER)

Grant/Contract Number:: SC0012704; FG02- 08ER46491; SC0019902; 21901166; 2019A1515010692; JCYJ20190809145615620

OSTI ID:: 1749889

Alternate ID(s):: OSTI ID: 1787516

Report Number(s):: BNL-220745-2020-JAAM

Journal Information:: Journal of the American Chemical Society, Vol. 142, Issue 47; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (43)

Pore chemistry and size control in hybrid porous materials for acetylene capture from ethylene Cui, X.; Chen, K.; Xing, H. Science, Vol. 353, Issue 6295 https://doi.org/10.1126/science.aaf2458	journal	May 2016
Supramolecular binding and separation of hydrocarbons within a functionalized porous metal–organic framework Yang, Sihai; Ramirez-Cuesta, Anibal J.; Newby, Ruth Nature Chemistry, Vol. 7, Issue 2 https://doi.org/10.1038/nchem.2114	journal	December 2014
Topologically guided tuning of Zr-MOF pore structures for highly selective separation of C6 alkane isomers Wang, Hao; Dong, Xinglong; Lin, Junzhong Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-018-04152-5	journal	May 2018
Cooperative insertion of CO2 in diamine-appended metal-organic frameworks McDonald, Thomas M.; Mason, Jarad A.; Kong, Xueqian Nature, Vol. 519, Issue 7543 https://doi.org/10.1038/nature14327	journal	March 2015
Porous materials with optimal adsorption thermodynamics and kinetics for CO₂ separation Nugent, Patrick; Belmabkhout, Youssef; Burd, Stephen D. Nature, Vol. 495, Issue 7439, p. 80-84 https://doi.org/10.1038/nature11893	journal	February 2013
Luminescent metal–organic frameworks for chemical sensing and explosive detection Hu, Zhichao; Deibert, Benjamin J.; Li, Jing Chem. Soc. Rev., Vol. 43, Issue 16 https://doi.org/10.1039/C4CS00010B	journal	January 2014
Effective Detection of Mycotoxins by a Highly Luminescent Metal–Organic Framework Hu, Zhichao; Lustig, William P.; Zhang, Jingming Journal of the American Chemical Society, Vol. 137, Issue 51 https://doi.org/10.1021/jacs.5b10308	journal	December 2015
Cooperative copper centres in a metal–organic framework for selective conversion of CO2 to ethanol An, Bing; Li, Zhe; Song, Yang Nature Catalysis, Vol. 2, Issue 8 https://doi.org/10.1038/s41929-019-0308-5	journal	July 2019
Ultrathin metal-organic framework array for efficient electrocatalytic water splitting Duan, Jingjing; Chen, Sheng; Zhao, Chuan Nature Communications, Vol. 8, Issue 1 https://doi.org/10.1038/ncomms15341	journal	June 2017
Solution Processable MOF Yellow Phosphor with Exceptionally High Quantum Efficiency Gong, Qihan; Hu, Zhichao; Deibert, Benjamin J. Journal of the American Chemical Society, Vol. 136, Issue 48 https://doi.org/10.1021/ja509446h	journal	November 2014
Metal–organic frameworks: functional luminescent and photonic materials for sensing applications Lustig, William P.; Mukherjee, Soumya; Rudd, Nathan D. Chemical Society Reviews, Vol. 46, Issue 11 https://doi.org/10.1039/C6CS00930A	journal	January 2017
Solvent-switchable continuous-breathing behaviour in a diamondoid metal–organic framework and its influence on CO2 versus CH4 selectivity Carrington, Elliot J.; McAnally, Craig A.; Fletcher, Ashleigh J. Nature Chemistry, Vol. 9, Issue 9 https://doi.org/10.1038/nchem.2747	journal	March 2017
Control of structural flexibility of layered-pillared metal-organic frameworks anchored at surfaces Wannapaiboon, Suttipong; Schneemann, Andreas; Hante, Inke Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-018-08285-5	journal	January 2019
Structural dynamics of a metal–organic framework induced by CO2 migration in its non-uniform porous structure Zhao, Pu; Fang, Hong; Mukhopadhyay, Sanghamitra Nature Communications, Vol. 10, Issue 1 https://doi.org/10.1038/s41467-019-08939-y	journal	March 2019
On the Flexibility of Metal–Organic Frameworks Sarkisov, Lev; Martin, Richard L.; Haranczyk, Maciej Journal of the American Chemical Society, Vol. 136, Issue 6 https://doi.org/10.1021/ja411673b	journal	January 2014
Flexible metal–organic frameworks Schneemann, A.; Bon, V.; Schwedler, I. Chem. Soc. Rev., Vol. 43, Issue 16 https://doi.org/10.1039/C4CS00101J	journal	January 2014
Flexible Metal-Organic Frameworks: Recent Advances and Potential Applications Chang, Ze; Yang, Dong-Hui; Xu, Jian Advanced Materials, Vol. 27, Issue 36 https://doi.org/10.1002/adma.201501523	journal	August 2015
Enhanced Gas Uptake in a Microporous Metal–Organic Framework via a Sorbate Induced-Fit Mechanism Yu, Mei-Hui; Space, Brian; Franz, Douglas Journal of the American Chemical Society, Vol. 141, Issue 44 https://doi.org/10.1021/jacs.9b07807	journal	October 2019
Methane storage in flexible metal–organic frameworks with intrinsic thermal management Mason, Jarad A.; Oktawiec, Julia; Taylor, Mercedes K. Nature, Vol. 527, Issue 7578 https://doi.org/10.1038/nature15732	journal	October 2015
A Flexible Metal–Organic Framework: Guest Molecules Controlled Dynamic Gas Adsorption Yue, Yanfeng; Rabone, Jeremy A.; Liu, Hongjun The Journal of Physical Chemistry C, Vol. 119, Issue 17 https://doi.org/10.1021/acs.jpcc.5b02359	journal	April 2015
Different Adsorption Behaviors of Methane and Carbon Dioxide in the Isotypic Nanoporous Metal Terephthalates MIL-53 and MIL-47 Bourrelly, Sandrine; Llewellyn, Philip L.; Serre, Christian Journal of the American Chemical Society, Vol. 127, Issue 39 https://doi.org/10.1021/ja054668v	journal	October 2005
Two-Step Adsorption/Desorption on a Jungle-Gym-Type Porous Coordination Polymer Uemura, Kazuhiro; Yamasaki, Yukari; Komagawa, Yuki Angewandte Chemie International Edition, Vol. 46, Issue 35 https://doi.org/10.1002/anie.200702390	journal	September 2007
Isotherms of individual pores by gas adsorption crystallography Cho, Hae Sung; Yang, Jingjing; Gong, Xuan Nature Chemistry, Vol. 11, Issue 6 https://doi.org/10.1038/s41557-019-0257-2	journal	May 2019
A pressure-amplifying framework material with negative gas adsorption transitions Krause, Simon; Bon, Volodymyr; Senkovska, Irena Nature, Vol. 532, Issue 7599 https://doi.org/10.1038/nature17430	journal	April 2016
Extra adsorption and adsorbate superlattice formation in metal-organic frameworks Sung Cho, Hae; Deng, Hexiang; Miyasaka, Keiichi Nature, Vol. 527, Issue 7579 https://doi.org/10.1038/nature15734	journal	November 2015
Flexibility and Sorption Selectivity in Rigid Metal-Organic Frameworks: The Impact of Ether-Functionalised Linkers Henke, Sebastian; Schmid, Rochus; Grunwaldt, Jan-Dierk Chemistry - A European Journal, Vol. 16, Issue 48 https://doi.org/10.1002/chem.201002341	journal	December 2010
Directing the Breathing Behavior of Pillared-Layered Metal–Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents Henke, Sebastian; Schneemann, Andreas; Wütscher, Annika Journal of the American Chemical Society, Vol. 134, Issue 22 https://doi.org/10.1021/ja302991b	journal	May 2012
Understanding the Preferential Adsorption of CO ₂ over N ₂ in a Flexible Metal–Organic Framework Nijem, Nour; Thissen, Peter; Yao, Yanpeng Journal of the American Chemical Society, Vol. 133, Issue 32 https://doi.org/10.1021/ja2051149	journal	August 2011
Direct Structural Identification of Gas Induced Gate-Opening Coupled with Commensurate Adsorption in a Microporous Metal-Organic Framework Banerjee, Debasis; Wang, Hao; Plonka, Anna M. Chemistry - A European Journal, Vol. 22, Issue 33 https://doi.org/10.1002/chem.201601784	journal	July 2016
Hypersensitive dual-function luminescence switching of a silver-chalcogenolate cluster-based metal–organic framework Huang, Ren-Wu; Wei, Yong-Sheng; Dong, Xi-Yan Nature Chemistry, Vol. 9, Issue 7 https://doi.org/10.1038/nchem.2718	journal	February 2017
Separation of Xe from Kr with Record Selectivity and Productivity in Anion‐Pillared Ultramicroporous Materials by Inverse Size‐Sieving Wang, Qingju; Ke, Tian; Yang, Lifeng Angewandte Chemie International Edition, Vol. 59, Issue 9 https://doi.org/10.1002/anie.201913245	journal	January 2020
Metal–organic framework with optimally selective xenon adsorption and separation Banerjee, Debasis; Simon, Cory M.; Plonka, Anna M. Nature Communications, Vol. 7, Issue 1 https://doi.org/10.1038/ncomms11831	journal	June 2016
Potential of Metal–Organic Frameworks for Separation of Xenon and Krypton Banerjee, Debasis; Cairns, Amy J.; Liu, Jian Accounts of Chemical Research, Vol. 48, Issue 2 https://doi.org/10.1021/ar5003126	journal	December 2014
A Robust Squarate-Based Metal–Organic Framework Demonstrates Record-High Affinity and Selectivity for Xenon over Krypton Li, Liangying; Guo, Lidong; Zhang, Zhiguo Journal of the American Chemical Society, Vol. 141, Issue 23 https://doi.org/10.1021/jacs.9b03422	journal	May 2019
The first example of commensurate adsorption of atomic gas in a MOF and effective separation of xenon from other noble gases Wang, Hao; Yao, Kexin; Zhang, Zhijuan Chemical Science, Vol. 5, Issue 2, p. 620-624 https://doi.org/10.1039/C3SC52348A	journal	January 2014
Direct Observation of Xe and Kr Adsorption in a Xe-Selective Microporous Metal–Organic Framework Chen, Xianyin; Plonka, Anna M.; Banerjee, Debasis Journal of the American Chemical Society, Vol. 137, Issue 22 https://doi.org/10.1021/jacs.5b02556	journal	May 2015
Controlling State of Breathing of Two Isoreticular Microporous Metal-Organic Frameworks with Triazole Homologues Jiang, Zhi-Qiang; Jiang, Gui-Yuan; Wang, Fei Chemistry - A European Journal, Vol. 18, Issue 34 https://doi.org/10.1002/chem.201200385	journal	July 2012
Structural Transformation and Hysteretic Sorption of Light Hydrocarbons in a Flexible Zn-Pyrazole-Adenine Framework Fu, Hong-Ru; Zhang, Jian Chemistry - A European Journal, Vol. 21, Issue 15 https://doi.org/10.1002/chem.201406323	journal	February 2015
Chemistry of Soft Porous Crystals: Structural Dynamics and Gas Adsorption Properties Krause, Simon; Hosono, Nobuhiko; Kitagawa, Susumu Angewandte Chemie International Edition, Vol. 59, Issue 36 https://doi.org/10.1002/anie.202004535	journal	August 2020
Tuning the Gate Opening Pressure of Metal–Organic Frameworks (MOFs) for the Selective Separation of Hydrocarbons Nijem, Nour; Wu, Haohan; Canepa, Pieremanuele Journal of the American Chemical Society, Vol. 134, Issue 37 https://doi.org/10.1021/ja305754f	journal	September 2012
A flexible zinc tetrazolate framework exhibiting breathing behaviour on xenon adsorption and selective adsorption of xenon over other noble gases Xiong, Shunshun; Liu, Qiang; Wang, Qian Journal of Materials Chemistry A, Vol. 3, Issue 20 https://doi.org/10.1039/C5TA00460H	journal	January 2015
Switching Kr/Xe Selectivity with Temperature in a Metal–Organic Framework Fernandez, Carlos A.; Liu, Jian; Thallapally, Praveen K. Journal of the American Chemical Society, Vol. 134, Issue 22, p. 9046-9049 https://doi.org/10.1021/ja302071t	journal	May 2012
Thermodynamics of Guest-Induced Structural Transitions in Hybrid Organic−Inorganic Frameworks Coudert, François-Xavier; Jeffroy, Marie; Fuchs, Alain H. Journal of the American Chemical Society, Vol. 130, Issue 43 https://doi.org/10.1021/ja805129c	journal	October 2008

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CCDC 1970608: Experimental Crystal Structure Determination Hao, Wang,; Mark, Warren,; Jacek, Jagiello, https://doi.org/10.5517/ccdc.csd.cc244l0x The current record is supplemented by this dataset	dataset	January 2020
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Title: Crystallizing Atomic Xenon in a Flexible MOF to Probe and Understand Its Temperature-Dependent Breathing Behavior and Unusual Gas Adsorption Phenomenon

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