Han Zhiyue, Jiang Qi, Du Zhiming, Zhang Yupeng, Yang Yuezhen
State Key Laboratory of Explosion Science and Technology, Beijing Institute of Technology 5 South Zhongguancun Street, Haidian District Beijing 100081 China
RSC Adv. 2018 Apr 18;8(26):14589-14596. doi: 10.1039/c8ra02682c. eCollection 2018 Apr 17.
The synthesis mechanism of 3-nitro-4-(tetrazol-5-yl)furazan (NTZF) was calculated by Gaussian 09 for the first time, and NTZF was successfully synthesized based on the theoretical design. Its ionic salts (RbNTZF and CsNTZF) were synthesized and studied by single-crystal X-ray diffraction firstly. The thermal stability of NTZF was investigated by TG-DSC and the kinetic data of thermal decomposition were calculated. The sensitivity of NTZF was measured. The formation heat, detonation velocity () and detonation pressure () of NTZF were calculated. NTZF is insensitive to impact and friction (impact > 40 J, friction > 360 J) and has higher detonation velocity and pressure ( = 7.838 km s, = 27.32 GPa) compared to TNT ( = 6881 m s, = 19.5 GPa). NTZF has appropriate sensitivity and detonation performance, so it can be used as a low explosive and gas generant.
首次采用高斯09程序计算了3-硝基-4-(四唑-5-基)呋咱(NTZF)的合成机理，并基于理论设计成功合成了NTZF。首先通过单晶X射线衍射对其离子盐(RbNTZF和CsNTZF)进行了合成与研究。采用TG-DSC研究了NTZF的热稳定性，并计算了热分解动力学数据。测定了NTZF的感度。计算了NTZF的生成热、爆速()和爆压()。NTZF对撞击和摩擦不敏感(撞击>40 J，摩擦>360 J)，与TNT(=6881 m s，=19.5 GPa)相比，具有更高的爆速和爆压(=7.838 km s，=27.32 GPa)。NTZF具有合适的感度和爆轰性能，可作为低爆速炸药和气体发生剂。
