PDF(Pubmed)
Abstract：
The synthesis of the new energetic material 4-amino-3-hydrazino-5-methyl-1,2,4-triazole, which shows excellent performance and reliable safety, has drawn attention recently. To fully characterize this material, a comprehensive analysis was performed using various techniques, including differential scanning calorimetry (DSC), infrared spectroscopy (IR), elemental analysis, and 1H and 13C NMR spectroscopy. Additionally, three compounds, 3, 5 and 9, were further characterized using single X-ray diffraction. The X-ray data suggested that extensive hydrogen bonds affect molecular structure by means of intermolecular interactions. In order to evaluate the explosive properties of these synthesized compounds, detonation pressures and velocities were calculated using EXPLO5 (V6.01). These calculations were carried out utilizing experimental data, including density and heat of formation. Among the explosives tested, compounds 7 and 8 exhibited zero oxygen balance and demonstrated exceptional detonation properties. Compound 7 achieved the highest recorded detonation pressure, at 34.2 GPa, while compound 8 displayed the highest detonation velocity, at 8887 m s-1.
摘要：
新型含能材料4-氨基-3-肼基-5-甲基-1,2,4-三唑的合成,它显示了优异的性能和可靠的安全性，最近引起了人们的注意。为了充分表征这种材料，使用各种技术进行了综合分析，包括差示扫描量热法（DSC），红外光谱(IR),元素分析,和1H和13CNMR光谱。此外,三种化合物,使用单一X射线衍射进一步表征图3、5和9。X射线数据表明，广泛的氢键通过分子间相互作用影响分子结构。为了评价这些合成化合物的爆炸性能,使用EXPLO5（V6.01）计算了爆炸压力和速度。这些计算是利用实验数据进行的，包括密度和形成热。在测试的炸药中，化合物7和8表现出零氧平衡，并表现出优异的爆轰性能。化合物7达到了最高记录的爆炸压力，在34.2GPa，而化合物8显示出最高的爆炸速度，8887米s-1。
