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Supramolecular Metal–Organic Framework for CO2/CH4 and CO2/N2 Separation
Industrial & Engineering Chemistry Research ( IF 4.2 ) Pub Date : 2020-03-23 , DOI: 10.1021/acs.iecr.0c00447
Juanjuan Dai 1 , Danyan Xie 1 , Ying Liu 1 , Zhiguo Zhang 1, 2 , Yiwen Yang 1, 2 , Qiwei Yang 1, 2 , Qilong Ren 1, 2 , Zongbi Bao 1, 2
Affiliation  

Supramolecular metal–organic frameworks (SMOFs) are emerging as a new family of porous materials. In this work, a SMOF, [Cu2(ade)4(H2O)2](SiF6)2 (SMOF-SIFSIX-1, ade = adenine) was successfully synthesized from the cationic complex of copper and adenine and hexafluorosilicate anions by a slow diffusion method and was demonstrated for trapping carbon dioxide in preference to methane and nitrogen. With one-dimensional pores of about 3.6 × 3.6 Å to induce their distinguishing interactions with the three components, SMOF-SIFSIX-1 exhibited excellent selective gas sorption behaviors for CO2/CH4 (50:50) and CO2/N2 (15:85) gas mixtures with ideal adsorbed solution theory selectivities of 21.1 and 131.7 at 273 K and 100 kPa pressure, respectively, outperforming most of reported hydrogen-bonded organic frameworks so far. Neutron powder diffraction and DFT-D calculations were also carried out to investigate the CO2 adsorption configuration on SMOF-SIFSIX-1a, which suggested that this framework catch CO2 due to “C···F” and “O···H” supramolecular interactions between CO2 molecules and SMOF-SIFSIX-1a. This study demonstrates that the rarely studied SMOF material shows promising potential in gas adsorption separation.

中文翻译:

用于CO 2 / CH 4和CO 2 / N 2分离的超分子金属有机骨架

超分子金属有机骨架(SMOF)作为多孔材料的新家族而出现。在这项工作中,成功地由铜和腺嘌呤与六氟硅酸盐的阳离子络合物成功合成了SMOF [Cu 2(ade)4(H 2 O)2 ](SiF 62(SMOF-SIFSIX-1,ade =腺嘌呤)。阴离子通过缓慢扩散法得到证实,并且比甲烷和氮气优先捕集二氧化碳。SMOF-SIFSIX-1具有约3.6×3.6Å的一维孔,可引起与三种组分的显着相互作用,因此对CO 2 / CH 4(50:50)和CO 2表现出优异的选择性气体吸附行为。/ N 2(15:85)气体混合物在273 K和100 kPa压力下的理想吸附溶液理论选择性分别为21.1和131.7,优于迄今为止报道的大多数氢键有机骨架。还进行了中子粉末衍射和DFT-D计算,以研究SMOF-SIFSIX-1a上的CO 2吸附构型,这表明该骨架由于“ C···F”和“ O···H”而捕获了CO 2。 CO 2分子与SMOF-SIFSIX-1a之间的超分子相互作用。这项研究表明,很少研究的SMOF材料在气体吸附分离方面显示出广阔的前景。
更新日期:2020-04-24
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