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A soft porous crystal based upon organic cages that exhibits guest-induced breathing and selective gas separation

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Show simple item record Wang, Zhifang Sikdar, Nivedita Wang, Shi-Qiang Li, Xia Yu, Mei-Hui Bu, Xian-He Chang, Ze Zou, Xiaolong Chen, Yao Cheng, Peng Yu, Kuang Zaworotko, Michael J. Zhang, Zhenjie 2019-09-30T14:13:34Z 2019
dc.description peer-reviewed en_US
dc.description.abstract Soft porous crystals (SPCs) that exhibit stimuli-responsive dynamic sorption behavior are attracting interest for gas storage/separation applications. However, design and synthesis of SPCs is challenging. Herein, we report a new type of SPC based on a [2+3] imide-based organic cage (NKPOC-1) and find that it exhibits guest-induced breathing behavior. Various gases were found to induce activated NKPOC-1 crystals to reversibly switch from a “closed” nonporous phase (α) to two porous “open” phases (β and γ). The net effect is gate-opening behavior induced by CO2 and C3 hydrocarbons. Interestingly, NKPOC-1-α selectively adsorbs propyne over propylene and propane at ambient conditions. Thus, NKPOC-1- α has the potential to separate binary and ternary C3 hydrocarbon mixtures and performance was subsequently verified by fixed bed column breakthrough experiments. In addition, molecular dynamics calculations and in situ X-ray diffraction experiments indicate that the gate-opening effect is accompanied by reversible structural transformations. The adsorption energies from molecular dynamics simulations aid are consistent with the experimentally observed selective adsorption phenomena. The understanding gained from this study of NKPOC-1 supports the further development of SPCs for applications in gas separation/storage since SPCs do not inherently suffer from the recyclability problems often encountered with rigid materials. en_US
dc.language.iso eng en_US
dc.publisher American Chemical Society en_US
dc.relation 13RPB2549 en_US
dc.relation.ispartofseries Journal of the American Chemical Society;141 (23), pp. 9408-9414
dc.rights © 2019 ACS This document is the Accepted Manuscript version of a Published Work that appeared in final form in Journal Title, copyright © American Chemical Society after peer review and technical editing by the publisher. To access the final edited and published work see en_US
dc.subject soft porous crystals (SPCs) en_US
dc.title A soft porous crystal based upon organic cages that exhibits guest-induced breathing and selective gas separation en_US
dc.type info:eu-repo/semantics/article en_US
dc.type.supercollection all_ul_research en_US
dc.type.supercollection ul_published_reviewed en_US
dc.identifier.doi 10.1021/jacs.9b04319
dc.contributor.sponsor SFI en_US
dc.contributor.sponsor National Natural Science Foundation of China en_US
dc.contributor.sponsor Tianjin Natural Science Foundation of China en_US
dc.relation.projectid 13/RP/B2549 en_US
dc.relation.projectid 16/IA/4624 en_US
dc.relation.projectid 21601093 en_US
dc.relation.projectid 17JCZDJC37200 en_US 2020-05-22
dc.embargo.terms 2020-5-22 en_US
dc.rights.accessrights info:eu-repo/semantics/openAccess en_US

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