4-Amino-3-Hydrazino-1,2,4-Triazolium 5-Nitrotetrazolate: A High-Density Energetic Materials

Kaiqiang He, Simin Zhu, Weiwei Ge, Liu Yang, Yinghui Li
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Abstract

4-Amino-3-hydrazino-1,2,4-triazolium 5-nitrotetrazolate (AHT·NT): an energetic nitrogen-rich salt was preparedand fully characterized by1H,13C NMR, and IR spectroscopy, differential scanning calorimetry (DSC), andelemental analysis. AHT·NT crystallizes in the triclinic crystal system in Monoclinic crystal system P2 (1) /c group. By including two molecular moieties in the unit cell, the calculated density is 1.789 g·cm-3. There are extensive hydrogen bonding interactions between the cation and the anion form acomplex 3D network.The heat of formationwas calculated with the Gaussian 03suite of programs. AHT·NT exhibit promising detonation performances (pressure: 31.0 GPa; velocity:8831 m·s-1; EXPLO 5.05) that exceedthose of conventional TNT. Impactsensitivity was also determined byhammer tests and resulted at4.5 J. AHT·NT exhibit reasonablephysical properties, such as good thermal (Td = 164.9°C), and reasonable impact sensitivities, making this salt potential energetic material.
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4-Amino-3-Hydrazino-1,2,4-Triazolium 5-Nitrotetrazolate:一种高密度能量材料
制备了 4-氨基-3-肼基-1,2,4-三唑鎓 5-硝基四氮唑(AHT-NT):一种高能富氮盐,并通过 1H、13C NMR、IR 光谱、差示扫描量热法(DSC)和元素分析对其进行了全面表征。AHT-NT 在单斜晶系 P2 (1) /c 组中的三斜晶系中结晶。通过在单胞中加入两个分子分子,计算得出的密度为 1.789 g-cm-3。阳离子和阴离子之间存在广泛的氢键相互作用,形成了复杂的三维网络。AHT-NT 表现出良好的引爆性能(压力:31.0 GPa;速度:8831 m-s-1;EXPLO 5.05),超过了传统 TNT。AHT-NT 表现出合理的物理特性,如良好的热敏性(Td = 164.9°C)和合理的冲击敏感性,使这种盐成为潜在的高能材料。
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