摘要
以4,6-二硝基苯并连三唑-1-氧化物(DNBTO)为原料,通过复分解、取代、硝化-水解反应设计并合成了未见文献报道的新化合物4,6-二硝基苯并连三唑-3-偕二硝甲基-1-氧化物(TNBTO);采用红外光谱、~1H NMR、^(13)C NMR及元素分析等表征了中间体及最终产物的结构;理论计算了TNBTO的密度和生成焓,利用Kamlet-Jacobs方程计算了TNBTO的爆轰性能,其密度为1.81 g·cm^(-3),爆速为8161.2 m·s^(-1),爆压为30.2 GPa;利用薄层色谱法跟踪验证了TNBTO的热稳定性,发现TNBTO常温下易分解。
Using 4,6-dinitrobenzotriazol-3-ium-1-oxide（ DNBTO） as starting material,4,6-dinitrobenzotriazol-3-dinitromethyl-1-oxide（ TNBTO） was firstly designed and synthesized via the reactions of metathesis,substitution and nitration-hydrolysis. The structures of all compounds were characterized by ~1H NMR,^（13） C NMR,IR and element analysis. Based on the theoretical values of densities and heat of formation,the detonation parameters were calculated using Gaussian 09 program and Kamlet-Jacobs equations. Results show that the density of TNBTO is 1.81 g·cm^-3,and the heat of formation is 143.7 kJ·mol^-1,the detonation velocity and detonation pressure are 8161.2 m·s^（-1） and 30.2 GPa,respectively. However,thin layer chromatography shows that TNBTO easily decomposes at room temperature,indicating that its stability is relatively poor.
出处
《含能材料》
EI
CAS
CSCD
北大核心
2017年第3期262-264,共3页
Chinese Journal of Energetic Materials
基金
National Natural Science Foundation of China(21373157)
