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Title: Xylene Recognition in Flexible Porous Coordination Polymer by Guest-Dependent Structural Transition
Authors: Wang, Ping
Kajiwara, Takashi  kyouindb  KAKEN_id  orcid (unconfirmed)
Otake, Ken-Ichi
Yao, Ming-Shui
Ashitani, Hirotaka
Kubota, Yoshiki
Kitagawa, Susumu  kyouindb  KAKEN_id  orcid (unconfirmed)
Author's alias: 梶原, 隆史
大竹, 研一
北川, 進
Keywords: Adsorption
Crystal structure
Molecular structure
xylene separation
porous coordination polymer
metal−organic framework
structural transition
static separation
breakthrough separation
Issue Date: 10-Nov-2021
Publisher: American Chemical Society (ACS)
Journal title: ACS Applied Materials & Interfaces
Volume: 13
Issue: 44
Start page: 52144
End page: 52151
Abstract: Xylene isomers are crucial chemical intermediates in great demand worldwide; the almost identical physicochemical properties render their current separation approach energy consuming. In this study, we utilized the soft porous coordination polymer (PCP)'s isomer-specific structural transformation, realizing o-xylene (oX) recognition/separation from the binary and ternary isomer mixtures. This PCP has a flexible structure that contains flexible aromatic pendant groups, which both work as recognition sites and induce structural flexibility of the global framework. The PCP exhibits guest-triggered "breathing"-type structural changes, which are accompanied by the rearrangement of the intraframework π-π interaction. By rebuilding π-π stacking with isomer species, the PCP discriminated oX from the other isomers by its specific guest-loading configuration and separated oX from the isomer mixture via selective adsorption. The xylene-selective property of the PCP is dependent on the solvent; in diluted hexane solution, the PCP favors p-xylene (pX) uptake. The separation results combined with crystallographic analyses revealed the effect of the isomer selectivity of the PCP on xylene isomer separation via structural transition and demonstrated its potential as a versatile selective adsorptive medium for challenging separations.
Rights: This document is the Accepted Manuscript version of a Published Work that appeared in final form in ACS Applied Materials & Interfaces, Copyright © 2021 American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see
The full-text file will be made open to the public on 4 August 2022 in accordance with publisher's 'Terms and Conditions for Self-Archiving'.
This is not the published version. Please cite only the published version. この論文は出版社版でありません。引用の際には出版社版をご確認ご利用ください。
DOI(Published Version): 10.1021/acsami.1c10061
PubMed ID: 34347426
Appears in Collections:Journal Articles

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