一种含硝基-NNO-氧化偶氮基新型含能材料的合成与表征(英文)

A Novel Energetic Material Based on Nitro-NNO-azoxy:Synthesis and Characterization

以3-氨基-4-(特丁基-NNO-氧化偶氮)基呋咱为原料,经过缩合和硝化两步反应合成了未见文献报道的化合物亚甲基-双-[3-(硝基-NNO-氧化偶氮)基-4-硝氨基-呋咱],并采用核磁共振、红外(IR)、元素分析和质谱确定了其结构。通过对其关键中间体晶体结构的研究确认了目标化合物的骨架结构。此外,通过量子化学计算方法预估了目标化合物的爆轰性能,密度为1.94 g·cm-3,爆速9502.52 m·s-1,爆压41.79 GPa,生成焓1007.67 k J·mol-1。

A novel energetic compound,N,N′-dinitro-N,N′-bis[3-（nitro-NNO-azoxy）furazan-4-yl]methylenediamine,was synthesized using 3-amino-4-（ t-Bu-NNO-azoxy）furazan as starting material. And its structure was characterized by nuclear magnetic resonance（1 H NMR and 13 C NMR）,infrared（ IR）spectroscopy,elemental analysis and mass spectrometry,and its backbone was also confirmed by the X-ray structure study of the key intermediate. The detonation performance was calculated by VLW equation of state. Results show density is 1.94 g·cm^-3,detonation velocity 9502.52 m·s^-1,detonation pressure 41.79 GPa and enthalpy of formation 1007.67 kJ·mol^-1,indicating it is a competitive energetic materials.