A new metal–organic coordination polymer [Zn2(sedc)2(dabco)] (1se; sedc2− = selepophene-2,5-dicarboxylate; dabco = 1,4-diazabicyclo[2.2.2]octane) was synthesized and characterized by single-crystal X-ray diffraction analysis. This MOF is based on {Zn2(OOCR)4N2} paddle wheels and is isoreticular to the family of [Zn2(bdc)2(dabco)] derivatives (1b; bdc2− = 1,4-benzenedicarboxylate) with pcu topology. The gas adsorption measurements revealed that 1se shows a 15% higher CO2 volumetric uptake at 273 K and 28% higher CO2 uptake at 298 K (both at 1 bar) compared to the prototypic framework 1b. Methane and nitrogen adsorption at 273 K was also investigated, and IAST calculations demonstrated a pronounced increase in CO2/CH4 and CO2/N2 selectivity for 1se, compared with 1b. For example, the selectivity factor for the equimolar CO2/CH4 gas mixture at 1 bar = 15.1 for 1se and 11.9 for 1b. The obtained results show a remarkable effect of the presence of selenium atom on the carbon dioxide affinity in the isoreticular metal–organic frameworks with very similar geometry and porosity.

中文翻译：

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用于增强 CO2 吸收和吸附选择性的含硒酚的金属有机框架

合成了一种新的金属有机配位聚合物 [Zn2(sedc)2(dabco)]（1se；sedc2− = selepophene-2,5-dicarboxylate；dabco = 1,4-diazabicyclo[2.2.2]octane）并表征为单晶 X 射线衍射分析。该 MOF 基于 {Zn2(OOCR)4N2} 桨轮，并且与具有 pcu 拓扑结构的 [Zn2(bdc)2(dabco)] 衍生物系列（1b；bdc2− = 1,4-苯二甲酸酯）等网。气体吸附测量显示，与原型框架 1b 相比，1se 在 273 K 时的 CO2 体积吸收量高出 15%，在 298 K（均在 1 bar）时高出 28% 的 CO2 吸收量。还研究了 273 K 下的甲烷和氮吸附，IAST 计算表明，与 1b 相比，1se 的 CO2/CH4 和 CO2/N2 选择性显着增加。例如，等摩尔 CO2/CH4 气体混合物在 1 bar 下的选择性因子 = 1se 为 15.1，1b 为 11.9。获得的结果表明，硒原子的存在对具有非常相似的几何形状和孔隙率的等网状金属-有机骨架中的二氧化碳亲和力有显着影响。