Tang Jie, Xiong Hualin, Tang Yongxing, Yang Hongwei, Cheng Guangbin
School of Chemical Engineering, Nanjing University of Science and Technology, Xiaolingwei 200, Nanjing, Jiangsu, China.
Dalton Trans. 2023 Mar 7;52(10):3169-3175. doi: 10.1039/d3dt00001j.
A series of derivatives of the nitropyrazole-triazole backbone were designed through units' screening of 219 N-heterocycle compounds and were synthesized. Among them, the thermal stability of DNPAT ( = 314 °C) is close to that of traditional heat-resistant explosive HNS (318 °C) while the detonation performance and sensitivity ( = 8889 m s; IS = 18 J) are better than those of HNS ( = 7612 m s; IS = 5 J) and traditional high-energy explosive RDX ( = 8795 m s; IS = 7.4 J), which is rarely reported in heat-resistant explosives. Moreover, compounds 4 and 6 show excellent performances (IS > 15 J, > 9090 m s, > 37.0 GPa), illustrating that compounds 4 and 6 may be used as secondary explosives. All these results enrich prospects for the development of energetic materials.
通过对219种氮杂环化合物进行单元筛选，设计并合成了一系列硝基吡唑 - 三唑骨架的衍生物。其中，DNPAT的热稳定性（= 314℃）接近传统耐热炸药HNS（318℃），而爆轰性能和感度（= 8889 m/s；IS = 18 J）优于HNS（= 7612 m/s；IS = 5 J）和传统高能炸药RDX（= 8795 m/s；IS = 7.4 J），这在耐热炸药中鲜有报道。此外，化合物4和6表现出优异的性能（IS > 15 J，> 9090 m/s，> 37.0 GPa），表明化合物4和6可用作二次炸药。所有这些结果丰富了含能材料的发展前景。
