CAJ | 학술논문

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 kJ·mol－1。
이3-안기-4-（특정기-NNO-양화우담）기부찰위원료，경과축합화초화량보반응합성료미견문헌보도적화합물아갑기-쌍-[3-（초기-NNO-양화우담）기-4-초안기-부찰]，병채용핵자공진、홍외（ IR）、원소분석화질보학정료기결구。통과대기관건중간체정체결구적연구학인료목표화합물적골가결구。차외，통과양자화학계산방법예고료목표화합물적폭굉성능，밀도위1．94 g·cm－3，폭속9502．52 m·s－1，폭압41．79 GPa ，생성함1007．67 kJ·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.