3,4-二(氟二硝甲基)氧化呋咱:一种高密度氧化剂

以3,4-二(偕氯肟基)氧化呋咱为原料,经过重氮化、硝化、成盐及氟化合成了一种含氟二硝基甲基的高密度氧化剂3,4-二(氟二硝甲基)氧化呋咱,利用红外光谱、核磁共振(13C NMR和19F NMR)、元素分析对3,4-二(氟二硝甲基)氧化呋咱进行了结构表征。采用差示扫描量热技术(DSC)研究了3,4-二(氟二硝甲基)氧化呋咱的热分解过程。采用密度泛函理论方法,在B3LYP/6-31+G(d,p)水平上优化了3,4-二(氟二硝甲基)氧化呋咱分子构型,预估了理论密度(ρ)、标准生成焓(ΔfH(s))、爆速(D)和爆压(P)。结果表明,3,4-二(氟二硝甲基)氧化呋咱的热稳定性良好,在高温下具有挥发特性;3,4-二(氟二硝甲基)氧化呋咱的ρ、ΔfH(s)、D和P值分别为2.01g/cm^3、-78.6kJ/mol、9025m/s和38.5GPa,是一种能量水平较高的氧化剂。

3,4-Bis(fluorodinitromethyl)furoxan: A High Density Oxidizer

A fluorodinitromethyl-containing high density oxidizer 3,4-bis(fluorodinitromethyl)furoxan was synthesized by fluorination.The compound was characterized by FT-IR,multinuclear NMR spectroscopy (13C NMR,19F NMR),elemental analysis,and differential scanning calorimetry measurements (DSC).3,4-Bis(fluorodinitromethyl)furoxan shows good thermal stability and exhibits a volatile process at high temperature.Its density is calculated to be 2.01 g·cm^-3.Based on the calculated standard enthalpy of formation and density,the detonation pressure,velocity and standard enthalpy were computed by using the empirical Kamlet-Jacobs computer program and found to be 38.5 GPa,9 025 m·s^-1 and -78.6kJ/mol,respectively,which make it promising high density energetic oxidizer.