Temperature-dependent rearrangement of gas molecules in ultramicroporous materials for tunable adsorption of CO2 and C2H2

The interactions between adsorbed gas molecules within porous metal-organic frameworks are crucial to gas selectivity but remain poorly explored. Here, we report the modulation of packing geometries of CO 2 and C 2 H 2 clusters within the ultramicroporous CUK-1 material as a function of temperature....

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Published in:Nature communications 2023-06, Vol.14 (1), p.3789-3789, Article 3789
Main Authors: Zhang, Zhaoqiang, Chen, Yinlin, Chai, Kungang, Kang, Chengjun, Peh, Shing Bo, Li, He, Ren, Junyu, Shi, Xiansong, Han, Xue, Dejoie, Catherine, Day, Sarah J., Yang, Sihai, Zhao, Dan
Format: Article
Language:English
Subjects:
119/118
639/638/298
639/638/898
Adsorption
Carbon dioxide
Clusters
Humanities and Social Sciences
Low temperature
Metal-organic frameworks
multidisciplinary
Purity
Room temperature
Science
Science (multidisciplinary)
Selective adsorption
Selectivity
Sorption
Synchrotron radiation
Synchrotrons
Temperature
Temperature dependence
X-ray diffraction
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Summary:The interactions between adsorbed gas molecules within porous metal-organic frameworks are crucial to gas selectivity but remain poorly explored. Here, we report the modulation of packing geometries of CO 2 and C 2 H 2 clusters within the ultramicroporous CUK-1 material as a function of temperature. In-situ synchrotron X-ray diffraction reveals a unique temperature-dependent reversal of CO 2 and C 2 H 2 adsorption affinities on CUK-1, which is validated by gas sorption and dynamic breakthrough experiments, affording high-purity C 2 H 2 (99.95%) from the equimolar mixture of C 2 H 2 /CO 2 via a one-step purification process. At low temperatures (10) and capacity (170 cm 3 g −1 ) owing to the formation of CO 2 tetramers that simultaneously maximize the guest-guest and host-guest interactions. At room temperature, conventionally selective adsorption of C 2 H 2 is observed. The selectivity reversal, structural robustness, and facile regeneration of CUK-1 suggest its potential for producing high-purity C 2 H 2 by temperature-swing sorption. Guest clusters within confined nanospaces have a significant impact on molecular recognition. Here authors highlight the potential to systematically control gas-cluster rearrangement, leading to tunable sorption and separation behaviour in a MOF.
ISSN:2041-1723
2041-1723
DOI:10.1038/s41467-023-39319-2