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首页> 外文期刊>Crystal growth & design >Single-crystal-to-single-crystal transformation of a novel 2-fold interpenetrated cadmium-organic framework with trimesate and 1,2-bis(4-pyridyl)ethane into the thermally desolvated form which exhibits liquid and gas sorption properties
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Single-crystal-to-single-crystal transformation of a novel 2-fold interpenetrated cadmium-organic framework with trimesate and 1,2-bis(4-pyridyl)ethane into the thermally desolvated form which exhibits liquid and gas sorption properties

机译：具有偏苯三酸酯和1,2-双（4-吡啶基）乙烷的新型2倍互穿镉有机骨架的单晶到单晶转变为热脱溶剂化形式，具有液体和气体吸附特性

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摘要

A novel 2-fold interpenetrated, pillared, cadmium metal-organic framework, namely, [Cd(HBTC)BPE]_n·nDMF, has been synthesized using 1,3,5-benzenetricarboxylic acid and 1,2-bis(4-pyridyl)ethane (BPE). This compound has been desolvated and subjected to various liquids and gases for sorption studies. Structures of the as-synthesized (1), desolvated (2), and resolvated in benzene (3) have been determined by single-crystal X-ray diffraction analysis and further characterized by elemental analysis, IR spectra, and thermogravimetric/differential scanning calorimetry analysis. Single crystal X-ray analysis revealed a 2-fold interpenetrated, three-dimensional (3D) framework which exhibits a 3,5-connected network with the Schl?fli symbol of [(6~3)(6~9.8) and hms topology. Compound 1 exhibits a temperature-induced single-crystal-to-single-crystal (SC-SC) transformation upon the release of N,N′-dimethylformamide molecules forming compound 2 (stable up to 300 C). SC-SC transformation is also observed when it is immersed in benzene, chloroform, 1,4-dioxane, and tetrahydrofuran. The uptake of different solvent molecules was analyzed, and desolvated samples selectively adsorb benzene, chloroform, 1,4-dioxane, and THF molecules over other selected polar solvents. Gas (N_2, CO _2, and N_2O) sorption experiments were also performed and the structure showed 2.5% N_2, 4.5% CO_2, and 3.4% N _2O absorption by mass at room temperature and moderate gas pressures (～10 bar).
机译：利用1,3,5-苯三羧酸和1,2-双（4-吡啶基）合成了一种新型的两重互穿的，柱状的镉金属有机骨架，即[Cd（HBTC）BPE] _n·nDMF乙烷（BPE）。该化合物已被去溶剂化，并经受各种液体和气体的吸附研究。已通过单晶X射线衍射分析确定了合成后（1），去溶剂化（2）和再溶解在苯中的结构，并进一步通过元素分析，红外光谱和热重/差示扫描量热法进行了表征分析。单晶X射线分析显示2倍互穿的三维（3D）框架，该框架显示3,5-连接的网络，其Schl？fli符号为[（6〜3）（6〜9.8）和hms拓扑。在释放形成化合物2的N，N'-二甲基甲酰胺分子时，化合物1表现出温度诱导的单晶至单晶（SC-SC）转变（稳定至300 C）。当将其浸入苯，氯仿，1,4-二恶烷和四氢呋喃中时，还会观察到SC-SC转化。分析了不同溶剂分子的吸收，脱溶剂的样品在其他选定的极性溶剂上选择性吸附了苯，氯仿，1,4-二恶烷和THF分子。还进行了气体（N_2，CO _2和N_2O）吸附实验，该结构表明在室温和适度的气压（约10 bar）下，质量吸收率为2.5％N_2、4.5％CO_2和3.4％N _2O。

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