热稳定性
起爆
分子内力
理想(伦理)
高能材料
密度泛函理论
化学
材料科学
结晶学
计算化学
立体化学
有机化学
爆炸物
认识论
哲学
酶
作者
Caijin Lei,Hongwei Yang,Wei Yang,Qinghua Zhang,Guangbin Cheng
标识
DOI:10.1021/acs.cgd.2c00058
摘要
In this study, a series of energetic compounds featuring intramolecular hydrogen bonds were demonstrated by the substituted reaction with 5-aminotetrazole. Notably, the representative energetic compounds 3 and 6 exhibit high density (1.910 g cm–3 and 1.905 g cm–3) and good detonation properties (3: D = 9072 m s–1, P = 37.1 GPa, 6: D = 8861 m s–1, P = 32.3 GPa). Additionally, combining a series of other advantages such as simple preparation, good thermostability (Td = 265 °C), and insensitivity (IS > 40 J, FS > 360 N), compound 6 is an ideal insensitive HEDM candidate.
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