Zhang Pengcheng, Zhao Xiuxiu, Du Yao, Gozin Michael, Li Shenghua, Pang Siping
School of Materials Science & Engineering, Beijing Institute of Technology Beijing 100081 China
School of Chemistry, Faculty of Exact Science, Tel Aviv University Tel Aviv 69978 Israel.
RSC Adv. 2018 Jul 10;8(43):24627-24632. doi: 10.1039/c8ra04116d. eCollection 2018 Jul 2.
We report the preparation, analysis, and phase transformation behavior of polymorphs of 3-nitro-1,2,4-triazole. The compound crystallizes in two different polymorphic forms, Form I (tetragonal, 422) and Form II (monoclinic, 2/). Analysis of the polymorphs has been investigated using microscopy, differential scanning calorimetry, variable-temperature powder X-ray diffraction, and single-crystal X-ray diffraction. On heating, Form II converts into Form I irreversibly, and on further heating, decomposition is observed. powder X-ray diffraction studies revealed that Form II transforms to Form I above 98 °C, indicating that Form I is more stable than Form II at high temperature. Form II of 3-nitro-1,2,4-triazole has good detonation properties ( = 8213 m s, = 27.45 GPa), and low sensitivity (IS > 40 J, FS = 360 N, ESD = 29 J), which make it a competitive candidate for use as a new insensitive explosive.
我们报道了3-硝基-1,2,4-三唑多晶型物的制备、分析及相变行为。该化合物以两种不同的多晶型形式结晶，即晶型I（四方晶系，422）和晶型II（单斜晶系，2/）。已使用显微镜、差示扫描量热法、变温粉末X射线衍射和单晶X射线衍射对多晶型物进行了分析。加热时，晶型II不可逆地转变为晶型I，进一步加热则观察到分解。粉末X射线衍射研究表明，晶型II在98℃以上转变为晶型I，这表明晶型I在高温下比晶型II更稳定。3-硝基-1,2,4-三唑的晶型II具有良好的爆轰性能（爆速=8213米/秒，爆压=27.45吉帕）和低感度（撞击感度>40焦，摩擦感度=360牛，静电感度=29焦），这使其成为用作新型钝感炸药的有竞争力候选物。
