Energetic Materials Frontiers Pub Date : 2020-10-29 , DOI: 10.1016/j.enmf.2020.10.001 Sicheng Liao , Zhiyu Zhou , Kangcai Wang , Yunhe Jin , Jin Luo , Tianlin Liu
Pentazolate anion (cyclo-N5−) containing compounds have attracted wide interest in recent years. In this paper, to explore the fantastic chemistry of cyclo-N5−, a novel polyamino 5/6/5-fused tricyclic-cation-based cyclo-N5− salt, 2,3,5,6-tetraamino-9-imino-5,9-dihydro-3H-bis([1,2,4]triazolo)[1,5-a:5′,1′-d][1,3,5]triazin-8-ium pentazol-1-ide (TABTT +N5−) was designed and synthesized. The chemical structures were determined by FTIR spectroscopy and single-crystal X-ray diffraction. TABTT +N5− exhibited a planar layer structure and a regular face-to-face layer stacking due to the strong hydrogen-bonding networks formed between polyamino 5/6/5-fused tricyclic and cyclo-N5−. TABTT +N5− exhibited acceptable thermal stability (Td: 106 °C), high density (1.638 g cm−3), high heat of formation (1078.122 kJ mol−1), and a good balance between energy and safety with high detonation performances (vD = 8756 m s−1, p = 26.03 GPa) and a low sensitivity (IS = 25 J, FS = 360 N), demonstrating the potential of nitrogen-rich cyclo-N5− salts as high energy materials.
中文翻译:
合成5/6/5稠合基三环阳离子环- ñ 5 -盐与形成的高密度和热
Pentazolate阴离子(环-N 5 - )的化合物已引起了广泛的兴趣在最近几年。在本文中,探索的奇妙化学环-N 5 - ,新型聚5/6/5稠合三环阳离子基环- ñ 5 -盐,2,3,5,6-四氨基-9-亚氨基5,9-二氢-3 H-双([1,2,4]三唑)[1,5-a:5',1'-d] [1,3,5]三嗪-8-戊唑-1-IDE(TABTT + ñ 5 - ),设计并合成的。化学结构通过FTIR光谱和单晶X射线衍射确定。TABTT + Ñ 5 -表现出的平面层结构和常规面到面层堆叠由于5/6 /聚氨基之间形成的强氢键网络5-稠合的三环和环-N 5 - 。TABTT + Ñ 5 -表现出可接受的热稳定性(Ť d:106℃),高密度(1.638克厘米-3),高形成的热(1078.122千焦摩尔-1),和之间的良好平衡具有高爆震性能的能量和安全性(v D = 8756 m s -1,p = 26.03 GPa)的和一个低灵敏度(IS =为25J,FS = 360 N),这表明的富氮的潜在环- Ñ 5 -盐作为高能量的材料。