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Highly controlled acetylene accommodation in a metal–organic microporous material

TLDR
High levels of selective sorption of acetylene molecules as compared to a very similar molecule, carbon dioxide, onto the functionalized surface of a MOM are reported.
Abstract
Metal-organic microporous materials (MOMs) have attracted wide scientific attention owing to their unusual structure and properties, as well as commercial interest due to their potential applications in storage, separation and heterogeneous catalysis. One of the advantages of MOMs compared to other microporous materials, such as activated carbons, is their ability to exhibit a variety of pore surface properties such as hydrophilicity and chirality, as a result of the controlled incorporation of organic functional groups into the pore walls. This capability means that the pore surfaces of MOMs could be designed to adsorb specific molecules; but few design strategies for the adsorption of small molecules have been established so far. Here we report high levels of selective sorption of acetylene molecules as compared to a very similar molecule, carbon dioxide, onto the functionalized surface of a MOM. The acetylene molecules are held at a periodic distance from one another by hydrogen bonding between two non-coordinated oxygen atoms in the nanoscale pore wall of the MOM and the two hydrogen atoms of the acetylene molecule. This permits the stable storage of acetylene at a density 200 times the safe compression limit of free acetylene at room temperature.

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Citations
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Tuning different kinds of entangled metal–organic frameworks by modifying the spacer group of aliphatic dicarboxylate ligands and the reactant ratio

TL;DR: A comparison of these six compounds demonstrates that both the different spacer lengths of the aliphatic dicarboxylates and reactant ratios appear to play a significant role in the assembly of entangled frameworks.
Journal ArticleDOI

Dioxygen binding to Fe-MOF-74: microscopic insights from periodic QM/MM calculations

TL;DR: In this article, an accurate MOF-FF parameter set was determined for the ferrous and ferric forms of an iron-based metal-organic framework (MOF) called Fe-MOF-74.
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Different structural destinations: comparing reactions of [CuBr2(3-Brpy)2] crystals with HBr and HCl gas

TL;DR: In this paper, the reaction of green crystalline solid trans-[CuBr2(3-Brpy)2] 1 with HBr (aq) vapour yields brown crystalline salt (3-XpyH)2[CuBr4] 2 with quantitative conversion.
Journal ArticleDOI

MOF-Based Chemiresistive Gas Sensors: Toward New Functionalities.

TL;DR: In this article , the effective techniques to design optimal metal-organic frameworks (MOFs) in terms of computational screening and synthesis methods are discussed, and mechanisms through which the distinctive functionalities of MOFs as sensing materials, heterostructures, and derivatives can be incorporated in gas sensor applications are presented.
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Tailoring the structures and gas adsorption properties of copper–bent diisophthalate frameworks by a substituent-driven ligand conformation regulation strategy

TL;DR: In this paper, a substituent-induced ligand conformation regulation strategy was employed to construct bent diisophthalate ligands bearing different substituents and successfully constructed their corresponding dicopper paddlewheel-based MOFs under suitable solvothermal conditions.
References
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