Linker Contribution toward Stability of Metal–Organic Frameworks under Ionizing Radiation

Fairley, Melissa; Gilson, Sara E.; Hanna, Sylvia L.; Mishra, Anushrut; Knapp, Julia G.; Idrees, Karam B.; Chheda, Saumil; Traustason, Hrafn; Islamoglu, Timur; Burns, Peter C.; Gagliardi, Laura; Farha, Omar K.; LaVerne, Jay A.

doi:10.1021/acs.chemmater.1c02999

Title: Linker Contribution toward Stability of Metal–Organic Frameworks under Ionizing Radiation

Journal Article · Mon Nov 15 00:00:00 EST 2021 · Chemistry of Materials

DOI:https://doi.org/10.1021/acs.chemmater.1c02999· OSTI ID:1885743

^[1]; Gilson, Sara E. ^[1];

^[2]; Mishra, Anushrut ^[3]; Knapp, Julia G. ^[2];

^[2]; Chheda, Saumil ^[3]; Traustason, Hrafn ^[1];

^[2];

^[1];

^[4];

^[2];

^[1]

Univ. of Notre Dame, IN (United States)
Northwestern Univ., Evanston, IL (United States)
Univ. of Minnesota, Minneapolis, MN (United States)
Univ. of Chicago, IL (United States)

Here, the effects of radiation on a series of UiO derivative metal–organic frameworks (MOFs) that contain the same zirconium hexamer node and similar organic linkers, UiO-66, UiO-66–NH₂, UiO-66–OH, and NU-403, were examined using γ-rays and 5 MeV He ions. UiO-66, UiO-66–NH2, and UiO-66–OH contain aromatic linkers and are significantly more stable to radiation than NU-403. Of these, UiO-66 is the most radiation resistant, displaying crystalline features up to 47 MGy of He-ion irradiation. MOFs containing aromatic linkers functionalized by electron-donating groups, UiO-66–NH₂ and UiO-66–OH, retained crystalline features up to 19 MGy. NU-403 contains aliphatic rings and is the least radiation-resistant MOF studied here. NU-403 exhibits small changes in infrared spectra upon 3 MGy of γ-irradiation and significant damage upon 10 MGy of He-ion irradiation. Diffraction data revealed radiation-induced defect formation. Structural locations of radiation-induced breakdown were interrogated experimentally and via density functional theory. The results indicated changes in the carboxylate (-OCO) of the linker and μ₃-OH vibrational modes, suggesting that introduction of an aliphatic linker into the MOF renders the connection between the linker and metal node most susceptible to radiation damage. This study reveals that the choice of the linker is crucial in designing a radiation-resistant MOF.

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Research Organization:: Los Alamos National Laboratory (LANL), Los Alamos, NM (United States); University of Notre Dame, IN (United States)

Sponsoring Organization:: USDOE Office of Science (SC); USDOE National Nuclear Security Administration (NNSA)

Grant/Contract Number:: 89233218CNA000001; NA0003763

OSTI ID:: 1885743

Alternate ID(s):: OSTI ID: 1832116

Report Number(s):: LA-UR-21-27690; TRN: US2309643

Journal Information:: Chemistry of Materials, Vol. 33, Issue 23; ISSN 0897-4756

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

References (46)

Structural Features of Zirconium-Based Metal–Organic Frameworks Affecting Radiolytic Stability Hanna, Sylvia L.; Rademacher, David X.; Hanson, Donald J. Industrial & Engineering Chemistry Research, Vol. 59, Issue 16 https://doi.org/10.1021/acs.iecr.9b06820	journal	April 2020
Metal organic framework MIL-101 for radioiodine capture and storage Assaad, Thaer; Assfour, Bassem Journal of Nuclear Materials, Vol. 493 https://doi.org/10.1016/j.jnucmat.2017.05.036	journal	September 2017
Tailoring Pore Aperture and Structural Defects in Zirconium-Based Metal–Organic Frameworks for Krypton/Xenon Separation Idrees, Karam B.; Chen, Zhijie; Zhang, Xuan Chemistry of Materials, Vol. 32, Issue 9 https://doi.org/10.1021/acs.chemmater.9b05048	journal	February 2020
Modulating iodine adsorption in nanoporous metal-organic framework via cation exchange process Zare Karizi, Farnoosh; Beheshti, Saeideh; Morsali, Ali Inorganica Chimica Acta, Vol. 482 https://doi.org/10.1016/j.ica.2018.05.040	journal	October 2018
From fundamentals to applications: a toolbox for robust and multifunctional MOF materials Kirchon, Angelo; Feng, Liang; Drake, Hannah F. Chemical Society Reviews, Vol. 47, Issue 23 https://doi.org/10.1039/c8cs00688a	journal	January 2018
Identifying the Recognition Site for Selective Trapping of ⁹⁹ TcO ₄ ^– in a Hydrolytically Stable and Radiation Resistant Cationic Metal–Organic Framework Zhu, Lin; Sheng, Daopeng; Xu, Chao Journal of the American Chemical Society, Vol. 139, Issue 42 https://doi.org/10.1021/jacs.7b08632	journal	October 2017
Boosting the Iodine Adsorption and Radioresistance of Th‐UiO‐66 MOFs via Aromatic Substitution Li, Zi‐Jian; Ju, Yu; Lu, Huangjie Chemistry – A European Journal, Vol. 27, Issue 4 https://doi.org/10.1002/chem.202003621	journal	November 2020
From Transition Metals to Lanthanides to Actinides: Metal-Mediated Tuning of Electronic Properties of Isostructural Metal–Organic Frameworks Islamoglu, Timur; Ray, Debmalya; Li, Peng Inorganic Chemistry, Vol. 57, Issue 21 https://doi.org/10.1021/acs.inorgchem.8b01748	journal	October 2018
Fe ₃ O ₄ @ZIF-8: a magnetic nanocomposite for highly efficient UO ₂ ²⁺ adsorption and selective UO ₂ ²⁺ /Ln ³⁺ separation Min, Xue; Yang, Weiting; Hui, Yuan-Feng Chemical Communications, Vol. 53, Issue 30 https://doi.org/10.1039/c6cc10274c	journal	January 2017
Computational Thermochemistry: Scale Factor Databases and Scale Factors for Vibrational Frequencies Obtained from Electronic Model Chemistries Alecu, I. M.; Zheng, Jingjing; Zhao, Yan Journal of Chemical Theory and Computation, Vol. 6, Issue 9 https://doi.org/10.1021/ct100326h	journal	August 2010
Exceptional Mechanical Stability of Highly Porous Zirconium Metal–Organic Framework UiO-66 and Its Important Implications Wu, Hui; Yildirim, Taner; Zhou, Wei The Journal of Physical Chemistry Letters, Vol. 4, Issue 6 https://doi.org/10.1021/jz4002345	journal	March 2013
Adsorptive separation of xenon/krypton mixtures using a zirconium-based metal-organic framework with high hydrothermal and radioactive stabilities Lee, Seung-Joon; Yoon, Tae-Ung; Kim, Ah-Reum Journal of Hazardous Materials, Vol. 320 https://doi.org/10.1016/j.jhazmat.2016.08.057	journal	December 2016
Correlated defect nanoregions in a metal–organic framework Cliffe, Matthew J.; Wan, Wei; Zou, Xiaodong Nature Communications, Vol. 5, Issue 1 https://doi.org/10.1038/ncomms5176	journal	June 2014
Sulfate-Rich Metal–Organic Framework for High Efficiency and Selective Removal of Barium from Nuclear Wastewater Kang, Chufan; Peng, Yaguang; Tang, Yuanzhe Industrial & Engineering Chemistry Research, Vol. 56, Issue 46 https://doi.org/10.1021/acs.iecr.7b02887	journal	November 2017
Synergistic Assembly of Heavy Metal Clusters and Luminescent Organic Bridging Ligands in Metal–Organic Frameworks for Highly Efficient X-ray Scintillation Wang, Cheng; Volotskova, Olga; Lu, Kuangda Journal of the American Chemical Society, Vol. 136, Issue 17 https://doi.org/10.1021/ja500671h	journal	April 2014
Metal-Organic Frameworks as Platforms for Catalytic Applications Jiao, Long; Wang, Yang; Jiang, Hai-Long Advanced Materials, Vol. 30, Issue 37 https://doi.org/10.1002/adma.201703663	journal	November 2017
Highly Sensitive Detection of Ionizing Radiations by a Photoluminescent Uranyl Organic Framework Xie, Jian; Wang, Yaxing; Liu, Wei Angewandte Chemie International Edition, Vol. 56, Issue 26 https://doi.org/10.1002/anie.201700919	journal	May 2017
Irradiation and isolation of fission products from uranium metal–organic frameworks Dorhout, Jacquelyn M.; Wilkerson, Marianne P.; Czerwinski, Kenneth R. Journal of Radioanalytical and Nuclear Chemistry, Vol. 320, Issue 2 https://doi.org/10.1007/s10967-019-06478-w	journal	March 2019
SRIM – The stopping and range of ions in matter (2010) Ziegler, James F.; Ziegler, M. D.; Biersack, J. P. Nuclear Instruments and Methods in Physics Research Section B: Beam Interactions with Materials and Atoms, Vol. 268, Issue 11-12 https://doi.org/10.1016/j.nimb.2010.02.091	journal	June 2010
Pseudopotentials for main group elements (IIIa through VIIa) Igel-Mann, G.; Stoll, H.; Preuss, H. Molecular Physics, Vol. 65, Issue 6 https://doi.org/10.1080/00268978800101811	journal	December 1988
Selective gas adsorption and separation in metal–organic frameworks Li, Jian-Rong; Kuppler, Ryan J.; Zhou, Hong-Cai Chemical Society Reviews, Vol. 38, Issue 5, p. 1477-1504 https://doi.org/10.1039/b802426j	journal	January 2009
Scintillating Metal-Organic Frameworks: A New Class of Radiation Detection Materials Doty, F. P.; Bauer, C. A.; Skulan, A. J. Advanced Materials, Vol. 21, Issue 1, p. 95-101 https://doi.org/10.1002/adma.200801753	journal	January 2009
Unprecedented Radiation Resistant Thorium–Binaphthol Metal–Organic Framework Gilson, Sara E.; Fairley, Melissa; Julien, Patrick Journal of the American Chemical Society, Vol. 142, Issue 31 https://doi.org/10.1021/jacs.0c05272	journal	July 2020
Balanced basis sets of split valence, triple zeta valence and quadruple zeta valence quality for H to Rn: Design and assessment of accuracy Weigend, Florian; Ahlrichs, Reinhart Physical Chemistry Chemical Physics, Vol. 7, Issue 18, p. 3297-3305 https://doi.org/10.1039/b508541a	journal	January 2005
Radiation-resistant metal-organic framework enables efficient separation of krypton fission gas from spent nuclear fuel Elsaidi, Sameh K.; Mohamed, Mona H.; Helal, Ahmed S. Nature Communications, Vol. 11, Issue 1 https://doi.org/10.1038/s41467-020-16647-1	journal	June 2020
Gamma and heavy ion radiolysis of ionic liquids: A comparative study Dhiman, Surajdevprakash B.; Goff, George S.; Runde, Wolfgang Journal of Nuclear Materials, Vol. 453, Issue 1-3 https://doi.org/10.1016/j.jnucmat.2014.06.056	journal	October 2014
Postsynthesis Modification of a Metallosalen-Containing Metal–Organic Framework for Selective Th(IV)/Ln(III) Separation Guo, Xiang-Guang; Qiu, Sen; Chen, Xiuting Inorganic Chemistry, Vol. 56, Issue 20 https://doi.org/10.1021/acs.inorgchem.7b01835	journal	September 2017
Water-Stable Metal–Organic Framework Material with Uncoordinated Terpyridine Site for Selective Th(IV)/Ln(III) Separation Xiong, Ying; Gao, Yun; Guo, Xiangguang ACS Sustainable Chemistry & Engineering, Vol. 7, Issue 3 https://doi.org/10.1021/acssuschemeng.8b04875	journal	December 2018
Application of zirconium MOFs in drug delivery and biomedicine Abánades Lázaro, Isabel; Forgan, Ross S. Coordination Chemistry Reviews, Vol. 380 https://doi.org/10.1016/j.ccr.2018.09.009	journal	February 2019
A facile synthesis of UiO-66, UiO-67 and their derivatives Katz, Michael J.; Brown, Zachary J.; Colón, Yamil J. Chemical Communications, Vol. 49, Issue 82 https://doi.org/10.1039/c3cc46105j	journal	January 2013
Efficient and Selective Uptake of TcO ₄ ^– by a Cationic Metal–Organic Framework Material with Open Ag ⁺ Sites Sheng, Daopeng; Zhu, Lin; Xu, Chao Environmental Science & Technology, Vol. 51, Issue 6 https://doi.org/10.1021/acs.est.7b00339	journal	March 2017
Sequestration of Radionuclides in Metal–Organic Frameworks from Density Functional Theory Calculations Pandey, Shubham; Jia, Zhilin; Demaske, Brian The Journal of Physical Chemistry C, Vol. 123, Issue 44 https://doi.org/10.1021/acs.jpcc.9b08256	journal	July 2019
A new local density functional for main-group thermochemistry, transition metal bonding, thermochemical kinetics, and noncovalent interactions Zhao, Yan; Truhlar, Donald G. The Journal of Chemical Physics, Vol. 125, Issue 19, Article No. 194101 https://doi.org/10.1063/1.2370993	journal	November 2006
Highly Sensitive and Selective Uranium Detection in Natural Water Systems Using a Luminescent Mesoporous Metal–Organic Framework Equipped with Abundant Lewis Basic Sites: A Combined Batch, X-ray Absorption Spectroscopy, and First Principles Simulation Investigation Liu, Wei; Dai, Xing; Bai, Zhuanling Environmental Science & Technology, Vol. 51, Issue 7 https://doi.org/10.1021/acs.est.6b06305	journal	March 2017
Introduction of amino groups into acid-resistant MOFs for enhanced U( vi ) sorption Bai, Zhi-Qiang; Yuan, Li-Yong; Zhu, Lin Journal of Materials Chemistry A, Vol. 3, Issue 2 https://doi.org/10.1039/c4ta04878d	journal	January 2015
Connecting structure with function in metal–organic frameworks to design novel photo- and radioluminescent materials Perry IV, John J.; Feng, Patrick L.; Meek, Scott T. Journal of Materials Chemistry, Vol. 22, Issue 20, p. 10235-10248 https://doi.org/10.1039/c2jm16627e	journal	January 2012
Adsorptive separation of xenon/krypton mixtures using ligand controls in a zirconium-based metal-organic framework Lee, Seung-Joon; Kim, Seongwoo; Kim, Eun-Jung Chemical Engineering Journal, Vol. 335 https://doi.org/10.1016/j.cej.2017.10.155	journal	March 2018
Ultrafast high-performance extraction of uranium from seawater without pretreatment using an acylamide- and carboxyl-functionalized metal–organic framework Wang, Ling Ling; Luo, Feng; Dang, Li Long Journal of Materials Chemistry A, Vol. 3, Issue 26 https://doi.org/10.1039/c5ta01972a	journal	January 2015
A New Zirconium Inorganic Building Brick Forming Metal Organic Frameworks with Exceptional Stability Cavka, Jasmina Hafizovic; Jakobsen, Søren; Olsbye, Unni Journal of the American Chemical Society, Vol. 130, Issue 42, p. 13850-13851 https://doi.org/10.1021/ja8057953	journal	October 2008
MOF-76: from a luminescent probe to highly efficient UVI sorption material Yang, Weiting; Bai, Zhi-Qiang; Shi, Wei-Qun Chemical Communications, Vol. 49, Issue 88 https://doi.org/10.1039/c3cc44983a	journal	January 2013
Umbellate Distortions of the Uranyl Coordination Environment Result in a Stable and Porous Polycatenated Framework That Can Effectively Remove Cesium from Aqueous Solutions Wang, Yanlong; Liu, Zhiyong; Li, Yuxiang Journal of the American Chemical Society, Vol. 137, Issue 19 https://doi.org/10.1021/jacs.5b02480	journal	May 2015
“Boarding-Up”: Radiation Damage and Radionuclide Leaching Kinetics in Linker-Capped Metal–Organic Frameworks Berseneva, Anna A.; Martin, Corey R.; Galitskiy, Vladimir A. Inorganic Chemistry, Vol. 59, Issue 1 https://doi.org/10.1021/acs.inorgchem.9b01310	journal	July 2019
Adsorption equilibrium and kinetics of uranium onto porous azo-metal–organic frameworks Liu, Shujuan; Luo, Mingbiao; Li, Jianqiang Journal of Radioanalytical and Nuclear Chemistry, Vol. 310, Issue 1 https://doi.org/10.1007/s10967-016-4852-z	journal	April 2016
Efficient capture of actinides from strong acidic solution by hafnium phosphonate frameworks with excellent acid resistance and radiolytic stability Xiong, Liang-ping; Lv, Kai; Gu, Mei Chemical Engineering Journal, Vol. 355 https://doi.org/10.1016/j.cej.2018.08.118	journal	January 2019
Synthesis and Stability of Tagged UiO-66 Zr-MOFs Kandiah, Mathivathani; Nilsen, Merete Hellner; Usseglio, Sandro Chemistry of Materials, Vol. 22, Issue 24 https://doi.org/10.1021/cm102601v	journal	December 2010
The Chemistry and Applications of Metal-Organic Frameworks Furukawa, H.; Cordova, K. E.; O'Keeffe, M. Science, Vol. 341, Issue 6149, p. 1230444-1230444 https://doi.org/10.1126/science.1230444	journal	August 2013

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Title: Linker Contribution toward Stability of Metal–Organic Frameworks under Ionizing Radiation

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