A highly porous phosphonocarboxylate metal–organic framework for hydrogen storage

IF 2.1 4区化学 Q3 CHEMISTRY, MULTIDISCIPLINARY

Structural Chemistry Pub Date : 2024-03-07 DOI:10.1007/s11224-024-02305-5

Lan Li, Sa-Sa Xia, Xiao-Jing Hu, Xin-Ni Li, Xusheng Wang, Zhi Chen

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引用次数: 0

Abstract

A novel metal–organic framework (MOF) denoted as CJLU-L1 has been successfully synthesized and characterized. This MOF was assembled by dicooper paddle-wheel Secondary Building Units (SBUs) and a ligand incorporating a phosphorous group. The structure was solved and analyzed through single crystal X-ray diffraction (SCXRD), revealing a framework with two types of cages with diameters of 5.79 and 6.20 Å. The void volume of CJLU-L1 is calculated to be 8130.5 Å³ per unit cell, which is 66% of the total crystal volume (12,321.4 Å³), as calculated by PLATON after remove of guest solvent in the pores. The Brunauer − Emmett − Teller (BET) surface areas also simulated by poreblazer software to be 1557 m²/g. The CJLU-L1 exhibits high hydrogen adsorption capacity at 77 K and 1 bar. This observation underscores the practical significance of CJLU-L1 in gas adsorption. Additionally, powder X-ray diffraction (PXRD) and infrared spectrum (IR) were performed to prove the phase purity of the CJLU-L1, and thermogravimetric analyses (TGA) was conducted to analyzed to the thermal stability of the CJLU-L1.

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用于储氢的高多孔性膦酰羧酸金属有机框架

摘要成功合成了一种新型金属有机框架（MOF），命名为 CJLU-L1，并对其进行了表征。这种 MOF 由双核桨轮二级构建单元（SBU）和含有磷基的配体组装而成。通过单晶 X 射线衍射（SCXRD）对其结构进行了解析和分析，发现其框架具有两种类型的笼状结构，直径分别为 5.79 和 6.20 Å。根据 PLATON 的计算，在去除孔隙中的客体溶剂后，CJLU-L1 每个单位晶胞的空隙体积为 8130.5 Å3，占总晶体体积（12321.4 Å3）的 66%。用 poreblazer 软件模拟的布鲁纳-艾美特-特勒（BET）表面积也达到了 1557 m2/g。在 77 K 和 1 bar 条件下，CJLU-L1 表现出很高的氢吸附能力。这一观察结果凸显了 CJLU-L1 在气体吸附方面的实际意义。此外，粉末 X 射线衍射（PXRD）和红外光谱（IR）证明了 CJLU-L1 的相纯度，热重分析（TGA）分析了 CJLU-L1 的热稳定性。

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来源期刊

Structural Chemistry 化学-化学综合

CiteScore

3.80

自引率

11.80%

发文量

227

审稿时长

3.7 months

期刊介绍： Structural Chemistry is an international forum for the publication of peer-reviewed original research papers that cover the condensed and gaseous states of matter and involve numerous techniques for the determination of structure and energetics, their results, and the conclusions derived from these studies. The journal overcomes the unnatural separation in the current literature among the areas of structure determination, energetics, and applications, as well as builds a bridge to other chemical disciplines. Ist comprehensive coverage encompasses broad discussion of results, observation of relationships among various properties, and the description and application of structure and energy information in all domains of chemistry. We welcome the broadest range of accounts of research in structural chemistry involving the discussion of methodologies and structures,experimental, theoretical, and computational, and their combinations. We encourage discussions of structural information collected for their chemicaland biological significance.