高氧平衡3,4-双(偕二硝基)氧化呋咱铵盐的合成、晶体结构及性能  

Synthesis,Crystal Structure and Properties of High-oxygen-balanced Diammonium Salt Based on 3,4-Bis(dinitromethyl)furoxan

作　　者：赵坤 黄海丰[2,3] 石亚猛 杨军 李红丽[4] ZHAO Kun;HUANG Hai-feng;SHI Ya-meng;YANG Jun;LI Hong-li(School of Food Science and Technology, Hubei University of Arts and Science, Xiangyang Hubei 441053, China;CAS Key Laboratory of Energy Regulation Materials, Shanghai Institute of Organic Chemistry, Chinese Academy of Sciences, Shanghai 200032, China;Innovation Academy for Green Manufacture, Chinese Academy of Sciences, Beijing 100190, China;College of Medical Technology, Chongqing Medical and Pharmaceutical College, Chongqing 401331, China)

机构地区：[1]湖北文理学院食品科学技术学院,湖北襄阳441053 [2]中国科学院上海有机化学研究所中国科学院能量调控材料重点实验室,上海200032 [3]中国科学院绿色过程制造创新研究院,北京100190 [4]重庆医药高等专科学校医学技术学院,重庆401331

出　　处：《火炸药学报》2020年第6期602-607,共6页Chinese Journal of Explosives & Propellants

基　　金：国家自然科学基金(No.21602241);中国科学院绿色过程制造创新研究院自主部署联合基金(No.IAGM2020C06)。

摘　　要：为了获得具有更高能量的含能化合物,以3,4-双(氯肟)氧化呋咱为原料,经过N2O5/N2O4硝化和乙腈中酸化-酸碱中和两步反应制备得到了3,4-双(偕二硝基)氧化呋咱铵盐;采用核磁共振、元素分析、单晶X-射线衍射对3,4-双(偕二硝基)氧化呋咱铵盐进行了结构表征;并用TG-DSC测定了该化合物的热稳定性,采用理论计算的方法获得了其生成焓数据;基于单晶密度和理论生成焓,采用Kamlet-Jacob方程计算了该化合物的爆速和爆压。结果表明,3,4-双(偕二硝基)氧化呋咱铵盐两步反应收率分别为73%和75%,晶体密度为1.783g/cm3,热分解温度为131℃,生成焓为-123.5kJ/mol,爆速为8802m/s,爆压为34.2GPa,表明它是一种高氧平衡、高能量的含能化合物。To achieve energetic compounds with higher energy-density levels,the ammonium salt of 3,4-bis(gem dinitro)furoxan was synthesized from 3,4-bis(chloroxime)furoxan via N2O5/N2O4 nitration followed by a acidification-neutralization process in acetonitrile.The structure of diammonium 3,4-bis(dinitromethyl)furoxanate was confirmed by nuclear magnetic resonance,elemental analysis and single crystal X-ray diffraction.Its thermal stability was measured by TG-DSC.Its enthalpy of formation was theoretically calculated.Based on the crystal density and enthalpy of formation,the detonation velocity and detonation pressure of the title compound were calculated.The results show that the yields of two steps are 73%and 75%,respectively.Its crystal density,thermal decomposition temperature,enthalpy of formation,detonation velocity and detonation pressure are 1.783g/cm3,131℃,-123.5kJ/mol,8802m/s and 34.2GPa,respectively,showing that diammonium 3,4-bis(dinitromethyl)furoxanate is a high energetic compound with high oxygen balance.

关 键 词：有机化学 含能离子盐 氧化呋咱 杂环 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] O62[理学—有机化学]