Highly efficient bromine capture and storage using N-containing porous organic cages

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dc.contributor.authorLee, Sunggyuko
dc.contributor.authorKevlishvili, Iliako
dc.contributor.authorKulik, Heather J.ko
dc.contributor.authorKim, Hee-Takko
dc.contributor.authorChung, Yongchul G.ko
dc.contributor.authorKoh, Dong-Yeunko
dc.date.accessioned2022-12-05T03:00:45Z-
dc.date.available2022-12-05T03:00:45Z-
dc.date.created2022-12-05-
dc.date.created2022-12-05-
dc.date.issued2022-11-
dc.identifier.citationJOURNAL OF MATERIALS CHEMISTRY A, v.10, no.46, pp.24802 - 24812-
dc.identifier.issn2050-7488-
dc.identifier.urihttp://hdl.handle.net/10203/301623-
dc.description.abstractHighly volatile and toxic bromine (Br-2) molecules can be utilized safely in various chemical processes when coupled with efficient separation systems. Herein, we present two different N-containing porous organic cages (POCs), covalent cage 3-R (CC3-R) and formaldehyde tied-reduced covalent cage 3 (FT-RCC3), for vapor Br-2 capture under ambient conditions. They show outstanding sorption capacities (11.02 mmol g(-1) and 11.64 mmol g(-1), respectively) compared with previously reported adsorbents. Reversibility of the Br-2 sorption process has been elucidated experimentally and computationally by identifying bromine species adsorbed at POCs and calculating their binding energies. The strong charge-transfer interactions between adsorbed Br-2 and abundant N atomic sites of the host cages led to the dominant formation of polybromide species (Br-3(-) and Br-5(-)). Further host-guest interaction between POCs and polybromides determined the reversibility of the Br-2 sorption process-showing partially reversible (>70% recovery) behavior for CC3-R and irreversible (<10% recovery) behavior for FT-RCC3, both of which were affected by the chemical and structural nature of different POCs. DFT calculations further indicate that the formation of carbocationic species (Br-3(-) and Br-5(-)) and HBr is energetically favorable within the cage, which is in good agreement with the experimental results. This work demonstrates that strong host-guest interactions are essential for highly efficient Br-2 capture and storage performance.-
dc.languageEnglish-
dc.publisherROYAL SOC CHEMISTRY-
dc.titleHighly efficient bromine capture and storage using N-containing porous organic cages-
dc.typeArticle-
dc.identifier.wosid000885646700001-
dc.identifier.scopusid2-s2.0-85142520376-
dc.type.rimsART-
dc.citation.volume10-
dc.citation.issue46-
dc.citation.beginningpage24802-
dc.citation.endingpage24812-
dc.citation.publicationnameJOURNAL OF MATERIALS CHEMISTRY A-
dc.identifier.doi10.1039/d2ta05420e-
dc.contributor.localauthorKim, Hee-Tak-
dc.contributor.localauthorKoh, Dong-Yeun-
dc.contributor.nonIdAuthorKevlishvili, Ilia-
dc.contributor.nonIdAuthorKulik, Heather J.-
dc.contributor.nonIdAuthorChung, Yongchul G.-
dc.description.isOpenAccessN-
dc.type.journalArticleArticle-
dc.subject.keywordPlusCARBON NANOTUBES-
dc.subject.keywordPlusSPECTRA-
dc.subject.keywordPlusADSORPTION-
dc.subject.keywordPlusFRAMEWORK-
dc.subject.keywordPlusMIXTURES-
dc.subject.keywordPlusBR-2-
dc.subject.keywordPlusXPS-
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