Fabrication of Energetic Metal-Organic Frameworks: Potassium 5-Carboxylato-3,4-Dinitropyrazole and Potassium 5-(Hydrazinecarbonyl)-3,4-Dinitropyrazole.
Fabrication of Energetic Metal-Organic Frameworks: Potassium 5-Carboxylato-3,4-Dinitropyrazole and Potassium 5-(Hydrazinecarbonyl)-3,4-Dinitropyrazole.
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含能金属 - 有机框架的制备：5 - 羧基 - 3,4 - 二硝基吡唑钾和5 - （肼羰基） - 3,4 - 二硝基吡唑钾
DOI：
10.1021/acs.inorgchem.3c02233
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发表时间：
2023-10
影响因子：
4.6
通讯作者：
Yuteng Cao;Kangcai Wang;Siwei Song;Yu Liu;Wenquan Zhang
中科院分区：
文献类型：
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作者：
Yuteng Cao;Kangcai Wang;Siwei Song;Yu Liu;Wenquan Zhang
含能材料在民用和军事领域有着广泛的应用，其热稳定性是评价其在恶劣条件下安全水平的关键指标。本论文实验合成了两种新型高能金属有机骨架(EMOF)，即4和6，并对它们进行了全面表征。这两种EMOF都具有独特的三维配位结构。EMOF4的晶体密度高达2.184 g·cm-3，表现出优异的热稳定性(起始温度2 90℃，峰值温度30 3℃)，而EMoF6的起始分解温度和峰值分解温度分别为2 2 0和2 30℃。计算得到的能量参数为：爆速8731m·S-1和82 94m·S-1，爆压2 6.5和2 6.4 Gpa。与EMOF 6相比，EMOF 4具有较高的能量、良好的热稳定性和较低的机械感度，这部分归因于更丰富的配位相互作用。更多的配位键有利于加强EMOF框架，该框架需要更多的能量才能崩溃，从而保持更高的热稳定性。这些良好的特性不仅表明EMOF4作为耐热炸药具有广阔的应用前景，而且为利用EMOF的增强骨架结构开发新型耐热含能材料提供了一种有效可行的策略。
Energetic materials have been widely applied in civil and military fields, whose thermostability is a key indicator to evaluate their safety levels under severe conditions. Herein, two novel energetic metal-organic frameworks (EMOFs), namely, 4 and 6, were experimentally obtained and comprehensively characterized. The two EMOFs both possess unique three-dimensional (3D) coordination structures. With a high crystal density of 2.184 g·cm-3, EMOF 4 exhibits outstandingly superior thermostability (onset: 290 °C; peak: 303 °C), while EMOF 6 features onset and peak decomposition temperatures of 220 and 230 °C. The calculated energetic parameters of 4 and 6 are as follows: detonation velocity: 8731 m·s-1 and 8294 m·s-1; detonation pressure: 26.5 and 26.4 GPa. Compared to EMOF 6, EMOF 4 features high energy, excellent thermostability, and low mechanical sensitivities, which should be partly attributed to more plentiful coordination interactions. More coordination bonds are conducive to strengthening the EMOF framework, which needs much more energy to collapse, thereby maintaining higher thermal stability. The above favorable characteristics not only indicate EMOF 4 has a promising future in applications as a thermostable explosive but also provide an effective and feasible strategy for developing novel heat-resistant energetic materials via reinforced frame structures of EMOFs.