Generalised analytical method unravels framework-dependent kinetics of adsorption-induced structural transition in flexible metal–organic frameworks

Flexible metal–organic frameworks (MOFs) exhibiting adsorption-induced structural transition can revolutionise adsorption separation processes, including CO 2 separation, which has become increasingly important in recent years. However, the kinetics of this structural transition remains poorly under...

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Bibliographic Details
Published in:	Nature communications Vol. 14; no. 1; p. 6862
Main Authors:	Sakanaka, Yuta, Hiraide, Shotaro, Sugawara, Iori, Uematsu, Hajime, Kawaguchi, Shogo, Miyahara, Minoru T., Watanabe, Satoshi
Format:	Journal Article
Language:	English
Published:	London Nature Publishing Group UK 08-11-2023 Nature Publishing Group Nature Portfolio
Subjects:	119/118 639/166/898 639/638/440/950 639/638/898 Adsorption Carbon dioxide Copper Differential pressure Humanities and Social Sciences Kinetics Metal-organic frameworks multidisciplinary Science Science (multidisciplinary) Separation Separation processes X ray powder diffraction
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Summary:	Flexible metal–organic frameworks (MOFs) exhibiting adsorption-induced structural transition can revolutionise adsorption separation processes, including CO 2 separation, which has become increasingly important in recent years. However, the kinetics of this structural transition remains poorly understood despite being crucial to process design. Here, the CO 2 -induced gate opening of ELM-11 ([Cu(BF 4 ) 2 (4,4’-bipyridine) 2 ] n ) is investigated by time-resolved in situ X-ray powder diffraction, and a theoretical kinetic model of this process is developed to gain atomistic insight into the transition dynamics. The thus-developed model consists of the differential pressure from the gate opening (indicating the ease of structural transition) and reaction model terms (indicating the transition propagation within the crystal). The reaction model of ELM-11 is an autocatalytic reaction with two pathways for CO 2 penetration of the framework. Moreover, gas adsorption analyses of two other flexible MOFs with different flexibilities indicate that the kinetics of the adsorption-induced structural transition is highly dependent on framework structure. The kinetics of guest-induced structural transition shown by flexible metal–organic frameworks (MOFs) remain poorly understood despite being crucial for process design. Here, three MOFs are studied to reveal the framework-dependent kinetic nature.
Bibliography:	ObjectType-Article-1 SourceType-Scholarly Journals-1 ObjectType-Feature-2 content type line 23
ISSN:	2041-1723 2041-1723
DOI:	10.1038/s41467-023-42448-3