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首页> 外文期刊>The journal of physical chemistry, B. Condensed matter, materials, surfaces, interfaces & biophysical >Characterization of the metal-organic framework compound Cu-3(benzene 1,3,5-tricarboxylate)(2) by means of Xe-129 nuclear magnetic and electron paramagnetic resonance spectroscopy
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Characterization of the metal-organic framework compound Cu-3(benzene 1,3,5-tricarboxylate)(2) by means of Xe-129 nuclear magnetic and electron paramagnetic resonance spectroscopy

机译：Xe-129核磁共振和电子顺磁共振光谱法表征金属-有机骨架化合物Cu-3（苯1,3,5-三羧酸苯）（2）

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摘要

Xe-129 NMR measurements of adsorbed xenon are shown for the first time to be a suitable tool to characterize the porosity and the properties of the metal-organic framework Cu-3(BTC)(2)(H2O)(3) (BTC = benzene 1,3,5-tricarboxylate). The NMR experiments are performed at room temperature and over a wide range of xenon pressure and on two different synthesized Cu-3(BTC)(2) samples. Xe-129 NMR results reveal that in dependence on the kind of the synthesis pathway either one or two signals are observed which can be attributed to two kinds of fast exchange of xenon atoms in two pores with different pore sizes. Coadsorption experiments of xenon and ethylene demonstrate that the xenon atoms prefer to fill the greater pores of the material because the smaller pores are occupied with residual molecules from the synthesis procedure and additionally adsorbed ethylene. Besides the NMR experiments a series of electron paramagnetic resonance (EPR) measurements are performed to estimate the state of copper having a strong influence on the chemical shift of the adsorbed xenon. The EPR experiments demonstrate that spin exchange between the interconnected copper dimers is taking place across the BTC linker molecules in the Cu-3(BTC)(2) framework.
机译：首次显示氙气的Xe-129 NMR测量是表征金属有机骨架Cu-3（BTC）（2）（H2O）（3）的孔隙率和性质的合适工具（BTC = 1,3,5-三羧酸苯）。 NMR实验是在室温，大范围的氙气压力下以及在两个不同的合成Cu-3（BTC）（2）样品上进行的。 Xe-129 NMR结果表明，取决于合成途径的种类，可以观察到一个或两个信号，这可以归因于两种氙气在具有不同孔径的两个孔中快速交换。氙和乙烯的共吸附实验表明，氙原子更喜欢填充材料的较大孔，因为较小的孔被合成过程中残留的分子占据，并被乙烯吸附。除了NMR实验外，还进行了一系列的电子顺磁共振（EPR）测量，以估计对吸附的氙的化学位移有很大影响的铜的状态。 EPR实验表明，互连的铜二聚体之间的自旋交换发生在Cu-3（BTC）（2）框架中的BTC连接分子之间。

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