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

Serra-Crespo, Pablo; Dikhtiarenko, Alla; Stavitski, Eli; Juan-Alcaniz, Jana; Kapeteijn, Freek; Coudert, Francois-Xavier; Gascon, Jorge

doi:10.1039/C4CE00436A

Title: 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

DOI:https://doi.org/10.1039/C4CE00436A· OSTI ID:1229074

Serra-Crespo, Pablo ^[1]; Dikhtiarenko, Alla ^[1]; Stavitski, Eli ^[2]; Juan-Alcaniz, Jana ^[1]; Kapeteijn, Freek ^[1]; Coudert, Francois-Xavier ^[3]; Gascon, Jorge ^[1]

Technical Univ. of Deft (Netherlands)
Brookhaven National Lab. (BNL), Upton, NY (United States)
Inst. of Chemical Research, Paris (France)

Here, we report a series of powder X-ray diffraction experiments performed on the soft porous crystals MIL-53(Al) and NH₂-MIL-53(Al) in a diamond anvil cell under different pressurization media. Systematic refinements of the obtained powder patterns demonstrate that these materials expand along a specific direction while undergoing total volume reduction under an increasing hydrostatic pressure. Our results confirm for the first time the negative linear compressibility behaviour of this family of materials, recently predicted from quantum chemical calculations.

Cite

Export

Save

Research Organization:: Brookhaven National Laboratory (BNL), Upton, NY (United States)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: SC00112704

OSTI ID:: 1229074

Report Number(s):: BNL-111149-2015-JA

Journal Information:: CrystEngComm, Vol. 17, Issue 2; ISSN 1466-8033

Publisher:: Royal Society of Chemistry

Country of Publication:: United States

Language:: English

References (36)

Soft porous crystals Horike, Satoshi; Shimomura, Satoru; Kitagawa, Susumu Nature Chemistry, Vol. 1, Issue 9, p. 695-704 https://doi.org/10.1038/nchem.444	journal	November 2009
Large breathing effects in three-dimensional porous hybrid matter: facts, analyses, rules and consequences Férey, Gérard; Serre, Christian Chemical Society Reviews, Vol. 38, Issue 5 https://doi.org/10.1039/b804302g	journal	January 2009
Role of Solvent-Host Interactions That Lead to Very Large Swelling of Hybrid Frameworks Serre, C.; Mellot-Draznieks, C.; Surble, S. Science, Vol. 315, Issue 5820 https://doi.org/10.1126/science.1137975	journal	March 2007
Understanding the Anomalous Alkane Selectivity of ZIF-7 in the Separation of Light Alkane/Alkene Mixtures van den Bergh, Johan; Gücüyener, Canan; Pidko, Evgeny A. Chemistry - A European Journal, Vol. 17, Issue 32 https://doi.org/10.1002/chem.201100958	journal	July 2011
Synthesis, structure determination and properties of MIL-53as and MIL-53ht: the first Criii hybrid inorganic–organic microporous solids: Criii(OH)·{O2C–C6H4–CO2}·{HO2C–C6H4–CO2H}xElectronic supplementary information (ESI) available: crystal data, atomic coordinates and metrical parameters for MIL-53as and MIL-53ht. See http://www.rsc.org/suppdata/cc/b2/b201381a/ Millange, Franck; Serre, Christian; Férey, Gérard Chemical Communications, Issue 8 https://doi.org/10.1039/b201381a	journal	March 2002
Very Large Breathing Effect in the First Nanoporous Chromium(III)-Based Solids MIL-53 or Cr^III(OH)·{O₂C−C₆H₄−CO₂}·{HO₂C−C₆H₄−CO₂H}_x·H₂O_y Serre, Christian; Millange, Franck; Thouvenot, Christelle Journal of the American Chemical Society, Vol. 124, Issue 45, p. 13519-13526 https://doi.org/10.1021/ja0276974	journal	November 2002
A Rationale for the Large Breathing of the Porous Aluminum Terephthalate (MIL-53) Upon Hydration Loiseau, Thierry; Serre, Christian; Huguenard, Clarisse Chemistry - A European Journal, Vol. 10, Issue 6 https://doi.org/10.1002/chem.200305413	journal	March 2004
Adsorption and Separation of Light Gases on an Amino-Functionalized Metal-Organic Framework: An Adsorption and In Situ XRD Study Couck, Sarah; Gobechiya, Elena; Kirschhock, Christine E. A. ChemSusChem, Vol. 5, Issue 4 https://doi.org/10.1002/cssc.201100378	journal	February 2012
Mechanical properties of hybrid inorganic–organic framework materials: establishing fundamental structure–property relationships Tan, Jin Chong; Cheetham, Anthony K. Chemical Society Reviews, Vol. 40, Issue 2 https://doi.org/10.1039/c0cs00163e	journal	January 2011
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
Pressure-Induced Cooperative Bond Rearrangement in a Zinc Imidazolate Framework: A High-Pressure Single-Crystal X-Ray Diffraction Study Spencer, Elinor C.; Angel, Ross J.; Ross, Nancy L. Journal of the American Chemical Society, Vol. 131, Issue 11 https://doi.org/10.1021/ja808531m	journal	March 2009
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
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
MOFs Under Pressure: The Reversible Compression of a Single Crystal Gagnon, Kevin J.; Beavers, Christine M.; Clearfield, Abraham Journal of the American Chemical Society, Vol. 135, Issue 4 https://doi.org/10.1021/ja311613p	journal	January 2013
Investigating the Pressure-Induced Amorphization of Zeolitic Imidazolate Framework ZIF-8: Mechanical Instability Due to Shear Mode Softening Ortiz, Aurélie U.; Boutin, Anne; Fuchs, Alain H. The Journal of Physical Chemistry Letters, Vol. 4, Issue 11 https://doi.org/10.1021/jz400880p	journal	May 2013
Using Pressure to Provoke the Structural Transition of Metal-Organic Frameworks Beurroies, Isabelle; Boulhout, Mohammed; Llewellyn, Philip L. Angewandte Chemie International Edition, Vol. 49, Issue 41 https://doi.org/10.1002/anie.201003048	journal	August 2010
Structural Transitions in MIL-53 (Cr): View from Outside and Inside Neimark, Alexander V.; Coudert, François-Xavier; Triguero, Carles Langmuir, Vol. 27, Issue 8 https://doi.org/10.1021/la200094x	journal	April 2011
High compressibility of a flexible metal–organic framework Serra-Crespo, Pablo; Stavitski, Eli; Kapteijn, Freek RSC Advances, Vol. 2, Issue 12 https://doi.org/10.1039/c2ra20528a	journal	January 2012
Large breathing of the MOF MIL-47(VIV) under mechanical pressure: a joint experimental–modelling exploration Yot, Pascal G.; Ma, Qintian; Haines, Julien Chemical Science, Vol. 3, Issue 4 https://doi.org/10.1039/c2sc00745b	journal	January 2012
Materials with Negative Compressibilities in One or More Dimensions Baughman, R. H. Science, Vol. 279, Issue 5356 https://doi.org/10.1126/science.279.5356.1522	journal	March 1998
Giant negative linear compressibility in zinc dicyanoaurate Cairns, Andrew B.; Catafesta, Jadna; Levelut, Claire Nature Materials, Vol. 12, Issue 3 https://doi.org/10.1038/nmat3551	journal	January 2013
Rational Design of Materials with Extreme Negative Compressibility: Selective Soft-Mode Frustration in KMn[Ag(CN) ₂ ] ₃ Cairns, Andrew B.; Thompson, Amber L.; Tucker, Matthew G. Journal of the American Chemical Society, Vol. 134, Issue 10 https://doi.org/10.1021/ja204908m	journal	July 2011
Large negative linear compressibility of Ag3[Co(CN)6] Goodwin, A. L.; Keen, D. A.; Tucker, M. G. Proceedings of the National Academy of Sciences, Vol. 105, Issue 48 https://doi.org/10.1073/pnas.0804789105	journal	November 2008
Negative Linear Compressibility of a Metal–Organic Framework Li, Wei; Probert, Michael R.; Kosa, Monica Journal of the American Chemical Society, Vol. 134, Issue 29 https://doi.org/10.1021/ja305196u	journal	July 2012
Supramolecular mechanics in a metal–organic framework Ogborn, Joseph M.; Collings, Ines E.; Moggach, Stephen A. Chemical Science, Vol. 3, Issue 10 https://doi.org/10.1039/c2sc20596c	journal	January 2012
Anisotropic Elastic Properties of Flexible Metal-Organic Frameworks: How Soft are Soft Porous Crystals? Ortiz, Aurélie U.; Boutin, Anne; Fuchs, Alain H. Physical Review Letters, Vol. 109, Issue 19 https://doi.org/10.1103/PhysRevLett.109.195502	journal	November 2012
Metal–organic frameworks with wine-rack motif: What determines their flexibility and elastic properties? Ortiz, Aurélie U.; Boutin, A.; Fuchs, Alain H. The Journal of Chemical Physics, Vol. 138, Issue 17 https://doi.org/10.1063/1.4802770	journal	May 2013
NH ₂ -MIL-53(Al): A High-Contrast Reversible Solid-State Nonlinear Optical Switch Serra-Crespo, Pablo; van der Veen, Monique A.; Gobechiya, Elena Journal of the American Chemical Society, Vol. 134, Issue 20 https://doi.org/10.1021/ja300655f	journal	May 2012
Kinetic Control of Metal-Organic Framework Crystallization Investigated by Time-Resolved In Situ X-Ray Scattering Stavitski, Eli; Goesten, Maarten; Juan-Alcañiz, Jana Angewandte Chemie, Vol. 123, Issue 41 https://doi.org/10.1002/ange.201101757	journal	July 2011
Interplay of Metal Node and Amine Functionality in NH ₂ -MIL-53: Modulating Breathing Behavior through Intra-framework Interactions Serra-Crespo, Pablo; Gobechiya, Elena; Ramos-Fernandez, Enrique V. Langmuir, Vol. 28, Issue 35 https://doi.org/10.1021/la302824j	journal	August 2012
High-pressure crystallography Katrusiak, Andrzej Acta Crystallographica Section A Foundations of Crystallography, Vol. 64, Issue 1 https://doi.org/10.1107/S0108767307061181	journal	December 2007
Pressure Measurement Made by the Utilization of Ruby Sharp-Line Luminescence Forman, R. A.; Piermarini, G. J.; Barnett, J. D. Science, Vol. 176, Issue 4032 https://doi.org/10.1126/science.176.4032.284	journal	April 1972
Recent advances in magnetic structure determination by neutron powder diffraction Rodríguez-Carvajal, Juan Physica B: Condensed Matter, Vol. 192, Issue 1-2 https://doi.org/10.1016/0921-4526(93)90108-I	journal	October 1993
Amorphization of metal-organic framework MOF-5 at unusually low applied pressure Hu, Yun Hang; Zhang, Lei Physical Review B, Vol. 81, Issue 17 https://doi.org/10.1103/PhysRevB.81.174103	journal	May 2010
Visualizing MOF Mixed Matrix Membranes at the Nanoscale: Towards Structure-Performance Relationships in CO ₂ /CH ₄ Separation Over NH ₂ -MIL-53(Al)@PI Rodenas, Tania; van Dalen, Marion; García-Pérez, Elena Advanced Functional Materials, Vol. 24, Issue 2 https://doi.org/10.1002/adfm.201203462	journal	March 2013
Mixed matrix membranes based on NH2-functionalized MIL-type MOFs: Influence of structural and operational parameters on the CO2/CH4 separation performance Rodenas, Tania; van Dalen, Marion; Serra-Crespo, Pablo Microporous and Mesoporous Materials, Vol. 192 https://doi.org/10.1016/j.micromeso.2013.08.049	journal	July 2014

Cited By (32)

Silver Oxalate: Mechanical Properties and Extreme Negative Mechanical Phenomena Colmenero, Francisco Advanced Theory and Simulations https://doi.org/10.1002/adts.201900040	journal	April 2019
Metal–Organic Frameworks in Modern Physics: Highlights and Perspectives Mezenov, Yuri A.; Krasilin, Andrei A.; Dzyuba, Vladimir P. Advanced Science, Vol. 6, Issue 17 https://doi.org/10.1002/advs.201900506	journal	July 2019
Extreme Flexibility in a Zeolitic Imidazolate Framework: Porous to Dense Phase Transition in Desolvated ZIF-4 Wharmby, Michael T.; Henke, Sebastian; Bennett, Thomas D. Angewandte Chemie International Edition, Vol. 54, Issue 22 https://doi.org/10.1002/anie.201410167	journal	April 2015
The Direct Heat Measurement of Mechanical Energy Storage Metal-Organic Frameworks Rodriguez, Julien; Beurroies, Isabelle; Loiseau, Thierry Angewandte Chemie International Edition, Vol. 54, Issue 15 https://doi.org/10.1002/anie.201411202	journal	February 2015
Elucidation of the Structural Origins and Contrasting Guest–Host Interactions in CO ₂ ‐Loaded CdSDB and PbSDB Metal–Organic Frameworks at High Pressures Jiang, Shan; Hu, Yue; Chen, Shoushun Chemistry – A European Journal, Vol. 24, Issue 72 https://doi.org/10.1002/chem.201804069	journal	November 2018
Reversible Phase Transition of Porous Coordination Polymers Fan, Wen‐Wen; Cheng, Yi; Zheng, Li‐Yan Chemistry – A European Journal, Vol. 26, Issue 13 https://doi.org/10.1002/chem.201903985	journal	January 2020
Impact of the Metal Centre and Functionalization on the Mechanical Behaviour of MIL-53 Metal-Organic Frameworks: Impact of the Metal Centre and Functionalization on the Mechanical Behaviour of MIL-53 Metal-Organic Frameworks Yot, Pascal G.; Yang, Ke; Guillerm, Vincent European Journal of Inorganic Chemistry, Vol. 2016, Issue 27 https://doi.org/10.1002/ejic.201600263	journal	July 2016
Solvent-Free Encapsulation at High Pressure with Carboxylate-Based MOFs: Solvent-Free Encapsulation at High Pressure with Carboxylate-Based MOFs Monteagudo-Olivan, Rebeca; Paseta, Lorena; Potier, Grégory European Journal of Inorganic Chemistry, Vol. 2019, Issue 1 https://doi.org/10.1002/ejic.201800985	journal	November 2018
On the Compressibility Properties of the Wine-Rack-Like Carbon Allotropes and Related Poly(phenylacetylene) Systems Degabriele, Edera P.; Attard, Daphne; Grima-Cornish, James N. physica status solidi (b), Vol. 256, Issue 1 https://doi.org/10.1002/pssb.201800572	journal	December 2018
Auxetic metamaterials inspired from wine-racks Caruana-Gauci, Roberto; Degabriele, Edera P.; Attard, Daphne Journal of Materials Science, Vol. 53, Issue 7 https://doi.org/10.1007/s10853-017-1875-y	journal	December 2017
Mechanical Properties of Shaped Metal–Organic Frameworks Shah, Bhuvan B.; Kundu, Tanay; Zhao, Dan Topics in Current Chemistry, Vol. 377, Issue 5 https://doi.org/10.1007/s41061-019-0250-7	journal	September 2019
Thermodynamic insight into stimuli-responsive behaviour of soft porous crystals Vanduyfhuys, L.; Rogge, S. M. J.; Wieme, J. Nature Communications, Vol. 9, Issue 1 https://doi.org/10.1038/s41467-017-02666-y	journal	January 2018
Chemically driven negative linear compressibility in sodium amidoborane, Na(NH2BH3) Magos-Palasyuk, Ewelina; Fijalkowski, Karol J.; Palasyuk, Taras Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep28745	journal	June 2016
Metal–organic frameworks as potential shock absorbers: the case of the highly flexible MIL-53(Al) Yot, Pascal G.; Boudene, Zoubeyr; Macia, Jasmine Chem. Commun., Vol. 50, Issue 67 https://doi.org/10.1039/c4cc03853c	journal	January 2014
Quantum mechanical predictions to elucidate the anisotropic elastic properties of zeolitic imidazolate frameworks: ZIF-4 vs. ZIF-zni Tan, Jin-Chong; Civalleri, Bartolomeo; Erba, Alessandro CrystEngComm, Vol. 17, Issue 2 https://doi.org/10.1039/c4ce01564a	journal	January 2015
Reversible piezochromism in a molecular wine-rack Harty, Elena L.; Ha, Alex R.; Warren, Mark R. Chemical Communications, Vol. 51, Issue 53 https://doi.org/10.1039/c5cc02916c	journal	January 2015
Discovering connections between terahertz vibrations and elasticity underpinning the collective dynamics of the HKUST-1 metal–organic framework Ryder, Matthew R.; Civalleri, Bartolomeo; Cinque, Gianfelice CrystEngComm, Vol. 18, Issue 23 https://doi.org/10.1039/c5ce02347e	journal	January 2016
Negative linear compressibility Cairns, Andrew B.; Goodwin, Andrew L. Physical Chemistry Chemical Physics, Vol. 17, Issue 32 https://doi.org/10.1039/c5cp00442j	journal	January 2015
Hidden negative linear compressibility in lithium l -tartrate Yeung, Hamish H. -M.; Kilmurray, Rebecca; Hobday, Claire L. Physical Chemistry Chemical Physics, Vol. 19, Issue 5 https://doi.org/10.1039/c6cp08690j	journal	January 2017
Pore closure in zeolitic imidazolate frameworks under mechanical pressure Henke, Sebastian; Wharmby, Michael T.; Kieslich, Gregor Chemical Science, Vol. 9, Issue 6 https://doi.org/10.1039/c7sc04952h	journal	January 2018
Intermediate states approach for adsorption studies in flexible metal–organic frameworks Rogacka, Justyna; Formalik, Filip; Triguero, Azahara L. Physical Chemistry Chemical Physics, Vol. 21, Issue 6 https://doi.org/10.1039/c8cp06817h	journal	January 2019
Adsorption of 2,4-dichlorophenoxyacetic acid in an aqueous medium on nanoscale MIL-53(Al) type materials Isaeva, Vera I.; Vedenyapina, Marina D.; Kulaishin, Stanislav A. Dalton Transactions, Vol. 48, Issue 40 https://doi.org/10.1039/c9dt03037a	journal	January 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
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
Unimode metamaterials exhibiting negative linear compressibility and negative thermal expansion Dudek, Krzysztof K.; Attard, Daphne; Caruana-Gauci, Roberto Smart Materials and Structures, Vol. 25, Issue 2 https://doi.org/10.1088/0964-1726/25/2/025009	journal	January 2016
Controlling flexibility of metal–organic frameworks Zhang, Jie-Peng; Zhou, Hao-Long; Zhou, Dong-Dong National Science Review, Vol. 5, Issue 6 https://doi.org/10.1093/nsr/nwx127	journal	October 2017
Flexibility in Metal–Organic Frameworks: A Basic Understanding Aljammal, Noor; Jabbour, Christia; Chaemchuen, Somboon Catalysts, Vol. 9, Issue 6 https://doi.org/10.3390/catal9060512	journal	June 2019
The Direct Heat Measurement of Mechanical Energy Storage Metal-Organic Frameworks Rodriguez, Julien; Beurroies, Isabelle; Loiseau, Thierry Angewandte Chemie, Vol. 127, Issue 15 https://doi.org/10.1002/ange.201411202	journal	February 2015
Pore closure in zeolitic imidazolate frameworks under mechanical pressure Henke, Sebastian; Wharmby, Michael Thomas; Kieslich, Gregor Deutsches Elektronen-Synchrotron, DESY, Hamburg https://doi.org/10.3204/pubdb-2018-05936	text	January 2018
Effect of Extra-Framework Cations on Negative Linear Compressibility and High-Pressure Phase Transitions: A Study of KCd[Ag(CN)₂]₃ Cairns, Andrew B.; Catafesta, Jadna; Hermet, Patrick The Journal of Physical Chemistry C, Vol. 124, Issue 12 https://doi.org/10.1021/acs.jpcc.9b11399	journal	March 2020
H3O+ tetrahedron induction in large negative linear compressibility Wang, Hui; Feng, Min; Wang, Yu-Fang Scientific Reports, Vol. 6, Issue 1 https://doi.org/10.1038/srep26015	journal	May 2016
Thermodynamics of the Flexible Metal-Organic Framework Material MIL-53(Cr) From First Principles Cockayne, Eric arXiv https://doi.org/10.48550/arxiv.1703.03440	text	January 2017

Similar Records

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:1229074

Serra-Crespo, Pablo; Dikhtiarenko, Alla; Stavitski, Eli; +4 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:1229074

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

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 · OSTI ID:1229074

Redfern, Louis R.; Robison, Lee; Wasson, Megan C.; +5 more

Related Subjects

36 MATERIALS SCIENCE

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

Citation Formats

References (36)

Cited By (32)

Similar Records

Related Subjects