晶胞内嵌H2O2分子的CL-20基主客体炸药的温和制备（英）

六硝基六氮杂异伍兹烷(CL-20)是目前能量最高的单质炸药,为了进一步提高其爆轰性能,以过氧化脲作为H2O2的原料,在低温低压干燥的环境下,采用溶剂挥发法构筑了CL-20/H2O2主客体含能炸药。利用粉末X-射线衍射(PXRD)和拉曼光谱对其结构进表征。结果表明,制备的CL-20/H2O2主客体炸药是正交晶系的晶体,空间群为Pbca,具有长程有序堆积的结构。经同步热分析仪(TG-DSC)测试得到主体CL-20分子与客体H2O2分子之间的摩尔比为2:1。利用原位高温XRD研究了CL-20/H2O2的热晶变行为,结果表明,随着温度的升高,CL-20/H2O2逐渐转变为γ-CL-20,并且相转变效率高于ε-CL-20。通过对CL-20/H2O2生长过程的追踪,观察到在溶液结晶过程中,CL-20/CH3CN亚稳相为重要的中间体,并经过一个固相转晶过程最终形成CL-20/H2O2主客体炸药晶体。

A Mild Method for the Construction of CL-20/H2O2 Host-guest Energetic Material

Hexanitrohexaazaisowurtzitane(CL-20)with a negative oxygen balance,is currently the most powerful commercially available explosive. In this work,the CL-20/H2O2 host-guest energetic material(CL-20/H2O2)was constructed by using urea hydrogen peroxide(UHP)as raw material through the solvent volatilization at low temperature and negative pressure. The structure of the complex was confirmed through X-ray diffraction(XRD)and Raman spectra. Results indicates that CL-20/H2O2 crystal-lizes in orthorhombic system space group Pbca with a long-range ordered stacked structure. The ratio of CL-20 molecule and H2O2 molecule is 2∶1 stoichiometry according to the thermogravimetry and simultaneous differential scanning calorimetry(TG-DSC)analyses. Furthermore,the polymorph transitions of CL-20/H2O2 with increasing temperature were investigated by in situ high temperature XRD. Results show that CL-20/H2O2 gradually converts to γ-CL-20 with elevated temperature and the rate of transition is faster than that of ε-CL-20. The CL-20 acetonitrile solvate(CL-20/CH3 CN)is a key intermediate via a solid state phase transition to form the CL-20/H2O2 host-guest energetic material by tracing the growing process of CL-20/H2O2.