Soft corrugated channel with synergistic exclusive discrimination gating for CO2 recognition in gas mixture

Yifan Gu, Jia-Jia Zheng, Ken-ichi Otake (), Shigeyoshi Sakaki, Hirotaka Ashitani, Yoshiki Kubota, Shogo Kawaguchi, Ming-Shui Yao, Ping Wang, Ying Wang, Fengting Li () and Susumu Kitagawa ()
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Yifan Gu: Tongji University
Jia-Jia Zheng: Chinese Academy of Sciences
Ken-ichi Otake: Kyoto University Institute for Advanced Study, Kyoto University, Yoshida Ushinomiya-cho, Sakyo-ku
Shigeyoshi Sakaki: Kyoto University Institute for Advanced Study, Kyoto University, Yoshida Ushinomiya-cho, Sakyo-ku
Hirotaka Ashitani: Osaka Prefecture University, Sakai
Yoshiki Kubota: Osaka Prefecture University, Sakai
Shogo Kawaguchi: Japan Synchrotron Radiation Research Insitute (JASRI)
Ming-Shui Yao: Kyoto University Institute for Advanced Study, Kyoto University, Yoshida Ushinomiya-cho, Sakyo-ku
Ping Wang: Kyoto University Institute for Advanced Study, Kyoto University, Yoshida Ushinomiya-cho, Sakyo-ku
Ying Wang: Tongji University
Fengting Li: Tongji University
Susumu Kitagawa: Kyoto University Institute for Advanced Study, Kyoto University, Yoshida Ushinomiya-cho, Sakyo-ku

Nature Communications, 2023, vol. 14, issue 1, 1-12

Abstract: Abstract Developing artificial porous systems with high molecular recognition performance is critical but very challenging to achieve selective uptake of a particular component from a mixture of many similar species, regardless of the size and affinity of these competing species. A porous platform that integrates multiple recognition mechanisms working cooperatively for highly efficient guest identification is desired. Here, we designed a flexible porous coordination polymer (PCP) and realised a corrugated channel system that cooperatively responds to only target gas molecules by taking advantage of its stereochemical shape, location of binding sites, and structural softness. The binding sites and structural deformation act synergistically, exhibiting exclusive discrimination gating (EDG) effect for selective gate-opening adsorption of CO2 over nine similar gas molecules, including N2, CH4, CO, O2, H2, Ar, C2H6, and even higher-affinity gases such as C2H2 and C2H4. Combining in-situ crystallographic experiments with theoretical studies, it is clear that this unparalleled ability to decipher the CO2 molecule is achieved through the coordination of framework dynamics, guest diffusion, and interaction energetics. Furthermore, the gas co-adsorption and breakthrough separation performance render the obtained PCP an efficient adsorbent for CO2 capture from various gas mixtures.

Date: 2023
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DOI: 10.1038/s41467-023-39470-w

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