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Metal–Organic Framework with Trifluoromethyl Groups for Selective C2H2 and CO2 Adsorption
Crystal Growth & Design ( IF 3.2 ) Pub Date : 2018-06-19 00:00:00 , DOI: 10.1021/acs.cgd.8b00506
Osamah Alduhaish 1, 2 , Rui-Biao Lin 2 , Hailong Wang 2 , Bin Li 2 , Hadi D. Arman 2 , Tong-Liang Hu 3 , Banglin Chen 2
Affiliation  

Reaction of CuSiF6·xH2O and 1,4-bis(4-pyridyl)-2-trifluoromethylbenzene (bpb-CF3) through liquid diffusion produces a porous SIFSIX-type metal–organic framework, [Cu(bpb-CF3)2(SiF6)] (UTSA-121) containing functional trifluoromethyl groups. Single-crystal X-ray diffraction analysis of UTSA-121 shows that bpb-CF3 can well substitute for the prototypal dipyridine ligand to form a non-interpenetrated pcu framework, which is highly porous (void = 65.7%) and contains three-dimensional intersecting channels with functionalized trifluoromethyl groups on the pore surface. The Brunauer–Emmett–Teller (BET) surface area of the activated UTSA-121a is up to 1081 m2 g–1. Gas sorption measurements of UTSA-121a reveal high C2H2 and CO2 uptakes at room temperature. Furthermore, ideal adsorbed solution theory calculations reveal that UTSA-121a shows highly selective adsorption of C2H2 and CO2 over CH4 and N2 under ambient conditions.

中文翻译:

具有三氟甲基基团的金属-有机骨架,对C 2 H 2和CO 2的选择性吸附

CuSiF 6 · x H 2 O与1,4-双(4-吡啶基)-2-三氟甲基苯(bpb-CF 3)通过液体扩散反应产生了多孔的SIFSIX型金属-有机骨架,[Cu(bpb-CF 32(SiF 6)](UTSA-121)含有功能性三氟甲基。UTSA-121的单晶X射线衍射分析表明,bpb-CF 3可以很好地替代原型二吡啶配体,从而形成非互穿的pcu骨架,它是高度多孔的(空隙= 65.7%),并包含在孔表面带有功能化三氟甲基的三维相交通道。激活的UTSA-121a的Brunauer-Emmett-Teller(BET)表面积最大为1081 m 2 g –1UTSA-121a的气体吸附测量表明,室温下C 2 H 2和CO 2的吸收量很高。此外,理想的吸附溶液理论计算表明,UTSA-121a在CH 4和N 2上显示出对C 2 H 2和CO 2的高度选择性吸附。 在环境条件下。
更新日期:2018-06-19
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