高致密环三甲撑三硝胺(RDX)的结晶方法研究

Crystallization method research of high density hexahydro-1,3,5-trinitro-2,4,6-triazine(RDX)crystals

为获得高致密环三甲撑三硝胺(RDX)晶体,在2种溶剂介质中采取不同结晶方法分别获得RDX单晶,经X射线单晶衍射仪表征,2种不同方法所制备的环三甲撑三硝胺单晶均属于正交晶系,空间群(Pbca),由于分子间氢键的形成与否,晶胞参数发生了改变,晶胞体积相对差为2.31%,密度相对差为2.34%。采用显微拉曼光谱对晶体结构做进一步表征,在晶格振动峰、NO2伸缩振动峰和N—NO2伸缩振动峰等区域分别产生了峰位偏移和侧峰等差异。研究结果表明,环三甲撑三硝胺晶体的致密性可通过结晶介质的选择和过程控制得以提升。

Two different RDX single crystal were prepared by different crystallization methods and solvents in order to obtain high density RDX crystal.Characterized by single crystal X-ray diffraction,the single crystals obtained by two ways were all orthorhombic,Pbcaspace group.Since the formation of intermolecular hydrogen bond or not,there were some differences in cell volume and density（the relative difference of 2.31% and 2.34%）.Using micro-raman spectroscopy for further characterization of the crystal structure,some vibration peak offsets and side peaks appeared in the lattice vibration peak,NO2 stretching vibration and stretching vibration of N-NO2 and other areas.The results showed the fact that the density of RDX crystal can be enhanced by the control of crystallization process and the selection of crystalline media.