Introduction of Functionality, Selection of Topology, and Enhancement of Gas Adsorption in Multivariate Metal–Organic Framework-177

Zhang, Yue-Biao; Furukawa, Hiroyasu; Ko, Nakeun; Nie, Weixuan; Park, Hye Jeong; Okajima, Satoshi; Cordova, Kyle E.; Deng, Hexiang; Kim, Jaheon; Yaghi, Omar M.

doi:10.1021/ja512311a

Title: Introduction of Functionality, Selection of Topology, and Enhancement of Gas Adsorption in Multivariate Metal–Organic Framework-177

Journal Article · Wed Feb 25 00:00:00 EST 2015 · J. Am. Chem. Soc.

DOI:https://doi.org/10.1021/ja512311a· OSTI ID:1210466

Zhang, Yue-Biao ^[1]; Furukawa, Hiroyasu ^[1]; Ko, Nakeun ^[2]; Nie, Weixuan ^[1]; Park, Hye Jeong ^[2]; Okajima, Satoshi ^[1]; Cordova, Kyle E. ^[3]; Deng, Hexiang ^[4]; Kim, Jaheon ^[2]; Yaghi, Omar M. ^[5]

Univ. of California, Berkeley, CA (United States)
Soongsil Univ., Seoul (Republic of Korea)
Univ. of California, Berkeley, CA (United States); Vietnam National Univ., Ho Chi Minh City (Vietnam)
Univ. of California, Berkeley, CA (United States); Wuhan Univ. (China)
Univ. of California, Berkeley, CA (United States); King Abdulaziz City for Science and Technology, Riyadh (Saudi Arabia)

Metal–organic framework-177 (MOF-177) is one of the most porous materials whose structure is composed of octahedral Zn₄O(-COO)₆ and triangular 1,3,5-benzenetribenzoate (BTB) units to make a three-dimensional extended network based on the qom topology. This topology violates a long-standing thesis where highly symmetric building units are expected to yield highly symmetric networks. In the case of octahedron and triangle combinations, MOFs based on pyrite (pyr) and rutile (rtl) nets were expected instead of qom. In this study, we have made 24 MOF-177 structures with different functional groups on the triangular BTB linker, having one or more functionalities. We find that the position of the functional groups on the BTB unit allows the selection for a specific net (qom, pyr, and rtl), and that mixing of functionalities (-H, -NH₂, and -C₄H₄) is an important strategy for the incorporation of a specific functionality (-NO₂) into MOF-177 where otherwise incorporation of such functionality would be difficult. Such mixing of functionalities to make multivariate MOF-177 structures leads to enhancement of hydrogen uptake by 25%.

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Research Organization:: Energy Frontier Research Centers (EFRC) (United States). Center for Gas Separations Relevant to Clean Energy Technologies (CGS)

Sponsoring Organization:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

DOE Contract Number:: SC0001015

OSTI ID:: 1210466

Journal Information:: J. Am. Chem. Soc., Vol. 137, Issue 7; Related Information: CGS partners with University of California, Berkeley; University of California, Davis; Lawrence Berkeley National Laboratory; University of Minnesota; National Energy Technology Laboratory; Texas A&M University

Country of Publication:: United States

Language:: English

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Title: Introduction of Functionality, Selection of Topology, and Enhancement of Gas Adsorption in Multivariate Metal–Organic Framework-177

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