Porosity Dependence of Compression and Lattice Rigidity in Metal–Organic Framework Series

Redfern, Louis R.; Robison, Lee; Wasson, Megan C.; Goswami, Subhadip; Lyu, Jiafei; Islamoglu, Timur; Chapman, Karena W.; Farha, Omar K.

doi:10.1021/jacs.8b13009

Title: Porosity Dependence of Compression and Lattice Rigidity in Metal–Organic Framework Series

Journal Article · Mon Feb 18 00:00:00 EST 2019 · Journal of the American Chemical Society

DOI:https://doi.org/10.1021/jacs.8b13009· OSTI ID:1524084

^[1];

^[2];

^[3];

^[2]

Northwestern Univ., Evanston, IL (United States); Argonne National Lab. (ANL), Lemont, IL (United States)
Northwestern Univ., Evanston, IL (United States)
Argonne National Lab. (ANL), Lemont, IL (United States); Stony Brook Univ., Stony Brook, NY (United States)

Porous materials, including metal-organic frameworks (MOFs), are known to undergo structural changes when subjected to applied hydrostatic pressures that are both fundamentally interesting and practically relevant. With the rich structural diversity of MOFs, the development of design rules to better understand and enhance the mechanical stability of MOFs is of paramount importance. In this work, the compressibilities of seven MOFs belonging to two topological families (representing the most comprehensive study of this type to date) were evaluated using in situ synchrotron X-ray powder diffraction of samples within a diamond anvil cell. The judicious selection of these materials, representing widely studied classes of MOFs, provides broadly applicable insight into the rigidity and compression of hybrid materials. An analysis of these data reveals that the bulk modulus depends on several structural parameters (e.g., void fraction and linker length). Furthermore, we find that lattice distortions play a major role in the compression of MOFs. As a result, this study is an important step toward developing a predictive model of the structural variables that dictate the compressibility of porous materials.

View Accepted Manuscript (DOE)

Cite

Export

Save

Research Organization:: Argonne National Laboratory (ANL), Argonne, IL (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Graduate Student Research (SCGSR) Program; U.S. Department of Defense (DOD), Defense Threat Reduction Agency (DTRA); USDOE Office of Science (SC), Workforce Development for Teachers and Scientists (WDTS)

Grant/Contract Number:: AC02-06CH11357

OSTI ID:: 1524084

Journal Information:: Journal of the American Chemical Society, Vol. 141, Issue 10; ISSN 0002-7863

Publisher:: American Chemical Society (ACS)Copyright Statement

Country of Publication:: United States

Language:: English

Citation Metrics:

Cited by: 35 works

Citation information provided by
Web of Science

References (38)

De novo synthesis of a metal–organic framework material featuring ultrahigh surface area and gas storage capacities Farha, Omar K.; Özgür Yazaydın, A.; Eryazici, Ibrahim Nature Chemistry, Vol. 2, Issue 11, p. 944-948 https://doi.org/10.1038/nchem.834	journal	September 2010
Gas storage in porous metal–organic frameworks for clean energy applications Ma, Shengqian; Zhou, Hong-Cai Chem. Commun., Vol. 46, Issue 1 https://doi.org/10.1039/B916295J	journal	January 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
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
Metal–organic framework materials as catalysts Lee, JeongYong; Farha, Omar K.; Roberts, John Chemical Society Reviews, Vol. 38, Issue 5, p. 1450-1459 https://doi.org/10.1039/b807080f	journal	January 2009
Development of a Cambridge Structural Database Subset: A Collection of Metal–Organic Frameworks for Past, Present, and Future Moghadam, Peyman Z.; Li, Aurelia; Wiggin, Seth B. Chemistry of Materials, Vol. 29, Issue 7 https://doi.org/10.1021/acs.chemmater.7b00441	journal	March 2017
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
A Flexible Metal–Organic Framework with 4-Connected Zr ₆ Nodes Zhang, Yuanyuan; Zhang, Xuan; Lyu, Jiafei Journal of the American Chemical Society, Vol. 140, Issue 36 https://doi.org/10.1021/jacs.8b06789	journal	August 2018
Guest-Dependent High Pressure Phenomena in a Nanoporous Metal−Organic Framework Material Chapman, Karena W.; Halder, Gregory J.; Chupas, Peter J. Journal of the American Chemical Society, Vol. 130, Issue 32 https://doi.org/10.1021/ja804079z	journal	August 2008
The Effect of Pressure on ZIF-8: Increasing Pore Size with Pressure and the Formation of a High-Pressure Phase at 1.47 GPa Moggach, Stephen A.; Bennett, Thomas D.; Cheetham, Anthony K. Angewandte Chemie International Edition, Vol. 48, Issue 38 https://doi.org/10.1002/anie.200902643	journal	September 2009
Compressibility of zeolite 4A is dependent on the molecular size of the hydrostatic pressure medium Hazen, R. M.; Finger, L. W. Journal of Applied Physics, Vol. 56, Issue 6 https://doi.org/10.1063/1.334194	journal	September 1984
High pressure deformation mechanism of Li-ABW: Synchrotron XRPD study and ab initio molecular dynamics simulations Fois, E.; Gamba, A.; Medici, C. Microporous and Mesoporous Materials, Vol. 115, Issue 3 https://doi.org/10.1016/j.micromeso.2008.01.041	journal	November 2008
Zeolites at high pressure: A review Gatta, G. D.; Lee, Y. Mineralogical Magazine, Vol. 78, Issue 2 https://doi.org/10.1180/minmag.2014.078.2.04	journal	April 2014
Pressure-Induced Amorphization and Porosity Modification in a Metal−Organic Framework Chapman, Karena W.; Halder, Gregory J.; Chupas, Peter J. Journal of the American Chemical Society, Vol. 131, Issue 48 https://doi.org/10.1021/ja908415z	journal	December 2009
Chemical structure, network topology, and porosity effects on the mechanical properties of Zeolitic Imidazolate Frameworks Tan, J. C.; Bennett, T. D.; Cheetham, A. K. Proceedings of the National Academy of Sciences, Vol. 107, Issue 22 https://doi.org/10.1073/pnas.1003205107	journal	May 2010
Comparison of the relative stability of zinc and lithium-boron zeolitic imidazolate frameworks Galvelis, Raimondas; Slater, Ben; Cheetham, Anthony K. CrystEngComm, Vol. 14, Issue 2 https://doi.org/10.1039/C1CE05854A	journal	January 2012
Thermochemistry of Zeolitic Imidazolate Frameworks of Varying Porosity Hughes, James T.; Bennett, Thomas D.; Cheetham, Anthony K. Journal of the American Chemical Society, Vol. 135, Issue 2 https://doi.org/10.1021/ja311237m	journal	December 2012
Exploration of the mechanical behavior of metal organic frameworks UiO-66(Zr) and MIL-125(Ti) and their NH ₂ functionalized versions Yot, Pascal. G.; Yang, Ke; Ragon, Florence Dalton Transactions, Vol. 45, Issue 10 https://doi.org/10.1039/C5DT03621F	journal	January 2016
Interplay between defects, disorder and flexibility in metal-organic frameworks Bennett, Thomas D.; Cheetham, Anthony K.; Fuchs, Alain H. Nature Chemistry, Vol. 9, Issue 1 https://doi.org/10.1038/nchem.2691	journal	December 2016
Room-Temperature Synthesis of UiO-66 and Thermal Modulation of Densities of Defect Sites DeStefano, Matthew R.; Islamoglu, Timur; Garibay, Sergio J. Chemistry of Materials, Vol. 29, Issue 3 https://doi.org/10.1021/acs.chemmater.6b05115	journal	January 2017
Tailoring of network dimensionality and porosity adjustment in Zr- and Hf-based MOFs Bon, Volodymyr; Senkovska, Irena; Weiss, Manfred S. CrystEngComm, Vol. 15, Issue 45 https://doi.org/10.1039/c3ce41121d	journal	January 2013
Pore Surface Engineering with Controlled Loadings of Functional Groups via Click Chemistry in Highly Stable Metal–Organic Frameworks Jiang, Hai-Long; Feng, Dawei; Liu, Tian-Fu Journal of the American Chemical Society, Vol. 134, Issue 36 https://doi.org/10.1021/ja3063919	journal	August 2012
Framework-Topology-Dependent Catalytic Activity of Zirconium-Based (Porphinato)zinc(II) MOFs Deria, Pravas; Gómez-Gualdrón, Diego A.; Hod, Idan Journal of the American Chemical Society, Vol. 138, Issue 43 https://doi.org/10.1021/jacs.6b09113	journal	October 2016
Ground-State versus Excited-State Interchromophoric Interaction: Topology Dependent Excimer Contribution in Metal–Organic Framework Photophysics Deria, Pravas; Yu, Jierui; Smith, Tanner Journal of the American Chemical Society, Vol. 139, Issue 16 https://doi.org/10.1021/jacs.7b02188	journal	April 2017
Synthesis and structure of Zr( iv )- and Ce( iv )-based CAU-24 with 1,2,4,5-tetrakis(4-carboxyphenyl)benzene Lammert, M.; Reinsch, H.; Murray, C. A. Dalton Transactions, Vol. 45, Issue 47 https://doi.org/10.1039/C6DT03852B	journal	January 2016
Spontaneous nucleation and growth of pure silica zeolite-? free of connectivity defects Camblor, Miguel A.; Corma, Avelino; Valencia, Susana Chemical Communications, Issue 20 https://doi.org/10.1039/cc9960002365	journal	January 1996
Tuning the Mechanical Response of Metal–Organic Frameworks by Defect Engineering Dissegna, Stefano; Vervoorts, Pia; Hobday, Claire L. Journal of the American Chemical Society, Vol. 140, Issue 37 https://doi.org/10.1021/jacs.8b07098	journal	August 2018
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
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
Synthesis and functionalization of phase-pure NU-901 for enhanced CO ₂ adsorption: the influence of a zirconium salt and modulator on the topology and phase purity Garibay, Sergio J.; Iordanov, Ivan; Islamoglu, Timur CrystEngComm, Vol. 20, Issue 44 https://doi.org/10.1039/C8CE01454J	journal	January 2018
A Computational and Experimental Approach Linking Disorder, High-Pressure Behavior, and Mechanical Properties in UiO Frameworks Hobday, Claire L.; Marshall, Ross J.; Murphie, Colin F. Angewandte Chemie International Edition, Vol. 55, Issue 7 https://doi.org/10.1002/anie.201509352	journal	January 2016
The elasticity of MOFs under mechanical pressure Yang, Ke; Zhou, Guanglin; Xu, Quan RSC Advances, Vol. 6, Issue 44 https://doi.org/10.1039/C5RA23149C	journal	January 2016
Chemical, thermal and mechanical stabilities of metal–organic frameworks Howarth, Ashlee J.; Liu, Yangyang; Li, Peng Nature Reviews Materials, Vol. 1, Issue 3 https://doi.org/10.1038/natrevmats.2015.18	journal	February 2016
Bulk moduli of solid and liquid metals Hasegawa, M.; Young, W. H. Journal of Physics F: Metal Physics, Vol. 11, Issue 5 https://doi.org/10.1088/0305-4608/11/5/004	journal	May 1981
Elastic velocities of partially gas-saturated unconsolidated sediments Lee, Myung W. Marine and Petroleum Geology, Vol. 21, Issue 6 https://doi.org/10.1016/j.marpetgeo.2003.12.004	journal	June 2004
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
CH₄ storage and CO₂ capture in highly porous zirconium oxide based metal–organic frameworks Yang, Qingyuan; Guillerm, Vincent; Ragon, Florence Chemical Communications, Vol. 48, Issue 79, p. 9831-9833 https://doi.org/10.1039/c2cc34714h	journal	January 2012
Methane storage on CPO-27-Ni pellets Tagliabue, Marco; Rizzo, Caterina; Millini, Roberto Journal of Porous Materials, Vol. 18, Issue 3 https://doi.org/10.1007/s10934-010-9378-0	journal	April 2010

Cited By (2)

Metal–organic frameworks under pressure Collings, Ines E.; Goodwin, Andrew L. Journal of Applied Physics, Vol. 126, Issue 18 https://doi.org/10.1063/1.5126911	journal	November 2019
Mechanical properties of metal–organic frameworks Redfern, Louis R.; Farha, Omar K. Chemical Science, Vol. 10, Issue 46 https://doi.org/10.1039/c9sc04249k	journal	January 2019

Similar Records

Molecular Retrofitting Adapts a Metal–Organic Framework to Extreme Pressure

Journal Article · Wed Jun 07 00:00:00 EDT 2017 · ACS Central Science · OSTI ID:1524084

Kapustin, Eugene A.; Lee, Seungkyu; Alshammari, Ahmad S.; +1 more

Experimental Evidence of Negative Linear Compressibility in the MIL-53 Metal-organic Framework Family

Journal Article · Mon Mar 24 00:00:00 EDT 2014 · CrystEngComm · OSTI ID:1524084

Serra-Crespo, Pablo; Dikhtiarenko, Alla; Stavitski, Eli; +4 more

Experimental Evidence of Negative Linear Compressibility in the MIL-53 Metal-Organic Framework Family