We report a novel Fe(II) compartmentalized coordination polymer (CCP) capable of physisorbing gas molecules in a selective manner. The crystal structure was modelled theoretically under the Density Functional Theory revealing the presence of discrete voids of 380 Å3, significantly larger than those reported for its predecesors. Adsorption isotherms of pure N2, CH4 and CO2 were measured, obtaining a loading capacity of 0.6, 1.7 and 2.2 molecules/void at 10 bar and at 298 K. Dynamic breakthrough gas experiments have been performed at different fluxes and temperatures, showing efficient adsorption and excellent selectivities for CO2 in gas mixtures with methane and nitrogen.

中文翻译：

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使用具有离散空隙的间隔化配位聚合物进行选择性CO2吸附

我们报告了一种新型的Fe（II）间隔配位聚合物（CCP），能够以选择性方式物理吸附气体分子。晶体结构在密度泛函理论下进行了理论建模，揭示了380Å3的离散空隙的存在，该空隙明显大于其前代所报道的空隙。测量了纯N2，CH4和CO2的吸附等温线，在10 bar和298 K的条件下，负载量分别为0.6、1.7和2.2分子/空隙。在不同的通量和温度下进行了动态突破气体实验，显示了有效的吸附和吸附。在与甲烷和氮气混合的气体中对CO2具有极好的选择性。