Investigating the mechanical stability of flexible metal–organic frameworks

Florencia A. Son; Kira M. Fahy; Madeleine A. Gaidimas; Courtney S. Smoljan; Megan C. Wasson; Omar K. Farha

doi:10.1038/s42004-023-00981-8

Investigating the mechanical stability of flexible metal–organic frameworks

Florencia A. Son, Kira M. Fahy, Madeleine A. Gaidimas, Courtney S. Smoljan, Megan C. Wasson, Omar K. Farha^*

^*Corresponding author for this work

Chemistry

Research output: Contribution to journal › Article › peer-review

6 Scopus citations

Abstract

As we continue to develop metal–organic frameworks (MOFs) for potential industrial applications, it becomes increasingly imperative to understand their mechanical stability. Notably, amongst flexible MOFs, structure-property relationships regarding their compressibility under pressure remain unclear. In this work, we conducted in situ variable pressure powder X-ray diffraction (PXRD) measurements up to moderate pressures (<1 GPa) using a synchrotron source on two families of flexible MOFs: (i) NU-1400 and NU-1401, and (ii) MIL-88B, MIL-88B-(CH₃)₂, and MIL-88B-(CH₃)₄. In this project scope, we found a positive correlation between bulk moduli and degree of flexibility, where increased rigidity (e.g., smaller swelling or breathing amplitude) arising from steric hindrance was deleterious, and observed reversibility in the unit cell compression of these MOFs. This study serves as a primer for the community to begin to untangle the factors that engender flexible frameworks with mechanical resilience.

Original language	English (US)
Article number	185
Journal	Communications Chemistry
Volume	6
Issue number	1
DOIs	https://doi.org/10.1038/s42004-023-00981-8
State	Published - Dec 2023

Funding

F.A.S. would like to thank Dr. Louis Redfern and Dr. Lee Robison for their mentorship and support in performing high-pressure powder X-ray diffraction studies. O.K.F. gratefully acknowledges support from the Defense Threat Reduction Agency (HDTRA1-19-1-0007). This work made use of the IMSERC X-RAY facility at Northwestern University, which has received support from the Soft and Hybrid Nanotechnology Experimental (SHyNE) Resource (NSF ECCS-2025633), and Northwestern University. This work also made use of the EPIC facility of Northwestern University’s NU Center, which has received support from the SHyNE Resource (NSF ECCS-2025633), the IIN, and Northwestern’s MRSEC program (NSF DMR-1720139). This research used resources of the Advanced Photon Source, a U.S. Department of Energy (DOE) Office of Science user facility operated for the DOE Office of Science by Argonne National Laboratory under Contract No. DE-AC02-06CH11357. F.A.S. is supported by the Department of Defense (DoD) through the National Defense Science & Engineering Graduate (NDSEG) Fellowship Program. F.A.S. also gratefully acknowledges support from the Ryan Fellowship and the International Institute for Nanotechnology at Northwestern University. K.M.F. is supported by the National Science Foundation Graduate Research Fellowship (NSF GRFP) under Grant No. DGE-1842165.

ASJC Scopus subject areas

Materials Chemistry
General Chemistry
Biochemistry
Environmental Chemistry

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abstract = "As we continue to develop metal–organic frameworks (MOFs) for potential industrial applications, it becomes increasingly imperative to understand their mechanical stability. Notably, amongst flexible MOFs, structure-property relationships regarding their compressibility under pressure remain unclear. In this work, we conducted in situ variable pressure powder X-ray diffraction (PXRD) measurements up to moderate pressures (<1 GPa) using a synchrotron source on two families of flexible MOFs: (i) NU-1400 and NU-1401, and (ii) MIL-88B, MIL-88B-(CH3)2, and MIL-88B-(CH3)4. In this project scope, we found a positive correlation between bulk moduli and degree of flexibility, where increased rigidity (e.g., smaller swelling or breathing amplitude) arising from steric hindrance was deleterious, and observed reversibility in the unit cell compression of these MOFs. This study serves as a primer for the community to begin to untangle the factors that engender flexible frameworks with mechanical resilience.",

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Investigating the mechanical stability of flexible metal–organic frameworks

Abstract

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