2022
DOI: 10.1021/acsami.2c07124
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Rational Design of Smart Metal–Organic Frameworks for Light-Modulated Gas Transport

Abstract: Smart metal–organic frameworks (MOFs) are constructed by introducing stimuli-responsive functional groups into MOF platforms. Through membrane systems containing smart MOFs, external field-modulated gas transport can be achieved, which finds potential applications in chemical engineering. In this work, we design a series of Mg-MOF-74-III-based frameworks functionalized by arylazopyrazole groups. Methyleneamine chains with various lengths are attached to the photoresponsive azopyrazole moiety. Molecular dynamic… Show more

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Cited by 5 publications
(3 citation statements)
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“…Indeed, it is one of the rare events, where the photoswitch being part of the structural unit of MOF exhibits phototunability. Along the line, several computational studies have also been carried out on azopyridine‐decorated / arylazopyrazole‐incorporated MOFs and revealed the potential applications in harvesting and releasing gas molecules by light [99a–b] …”
Section: Supramolecular Aspectsmentioning
confidence: 99%
“…Indeed, it is one of the rare events, where the photoswitch being part of the structural unit of MOF exhibits phototunability. Along the line, several computational studies have also been carried out on azopyridine‐decorated / arylazopyrazole‐incorporated MOFs and revealed the potential applications in harvesting and releasing gas molecules by light [99a–b] …”
Section: Supramolecular Aspectsmentioning
confidence: 99%
“…In fact, when the azobenzene switched to the cis state, the diffusion flux of the polar molecules significantly increased, but that of the non-polar molecules did not change. In another work [49], the diffusion behaviors of CO 2 and N 2 gases on a series of MOFs systems based on Mg-MOF-74-III as a platform and a chain containing arylazopyrazole, modified with methylene amine as the functional molecule have been investigated. The diffusion of CO 2 was regulated by cis-to-trans isomerization of the functional unit.…”
Section: Azobenzene-based Mofsmentioning
confidence: 99%
“…Due to the strong controllability of organic synthesis, the design of organic units in MOF structures is often fruitful. At present, the design of organic units is mainly focused on length extension, geometric conformation changes, modulation of ligand sites, and functionalization. Among them, the design concept of functionalized MOFs has been widely studied and applied because of their various advantages. First of all, the types of organic functional groups are numerous. Next, organic functional groups can be incorporated into different parts of the MOF structure, including metal ions/clusters, organic bridging ligands, and blank spaces within the cavity. More importantly, introducing organic functional groups into the MOFs can enrich the host–guest chemistry between MOFs and other small molecules. In conclusion, the performance tunability of MOFs in various applications can be improved by purposefully designing organic units.…”
Section: Introductionmentioning
confidence: 99%