A Metal–Organic Framework with a Pore Size/Shape Suitable for Strong Binding and Close Packing of Methane |
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Authors: | Dr Jiao‐Min Lin Chun‐Ting He Yan Liu Pei‐Qin Liao Dong‐Dong Zhou Prof Dr Jie‐Peng Zhang Prof Dr Xiao‐Ming Chen |
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Institution: | MOE Key Laboratory of Bioinorganic and Synthetic Chemistry, School of Chemistry and Chemical Engineering, Sun Yat-Sen University, Guangzhou, China |
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Abstract: | Much effort has been devoted to develop new porous structures for methane storage. We report a new porous coordination framework showing exceptional methane uptakes (e.g. 263 v/v at 298 K and 65 bar) and adsorption enthalpies (21.6 kJ mol?1) as high as current record holders functionalized by open metal sites. Computational simulations demonstrated that the hierarchical pore structure consisting of single‐wall nanocages has suitable sizes/shapes and organic binding sites to enforce not only strong host–methane and methane–methane interactions but also dense packing of methane molecules. |
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Keywords: | adsorption host– guest interactions guest– guest interactions metal– organic frameworks methane |
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