title: Introduction of functionality, selection of topology, and enhancement of gas adsorption in multivariate metal-organic framework-177.
abstract: 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%.
authors: Department of Chemistry, University of California-Berkeley, Materials Sciences Division, Lawrence Berkeley National Laboratory, and Kavli Energy NanoSciences Institute , Berkeley, California 94720, United States.
authors: Yue-Biao
authors: YB
authors: Zhang
authors: Hiroyasu
authors: H
authors: Furukawa
authors: Nakeun
authors: N
authors: Ko
authors: Weixuan
authors: W
authors: Nie
authors: Hye Jeong
authors: HJ
authors: Park
authors: Satoshi
authors: S
authors: Okajima
authors: Kyle E
authors: KE
authors: Cordova
authors: Hexiang
authors: H
authors: Deng
authors: Jaheon
authors: J
authors: Kim
authors: Omar M
authors: OM
authors: Yaghi