1-甲基-4,5-二硝基咪唑的晶体结构和热分解

Crystal Structure and Thermal Decomposition of 1-Methyl-4,5-Dinitroimidazole

采用溶剂缓慢挥发法在室温下培养出1-甲基-4,5-二硝基咪唑(4,5-MDNI)的单晶,并用X射线四圆衍射仪测定了其单晶结构,晶胞参数为a=8.412 3,b=12.646,c=6.562 7,V=698.23,Z=4,D=1.637g/cm3,F(000)=352,属斜方晶系,空间群Pna2(1)/n。用密度瓶法和高速转镜分幅相机测定其密度和爆速,当药柱密度1.542g/cm3时,爆速为7 093m/s。用WL-1型落锤仪测试了特性落高,H50为87.5cm。用DSC-TG研究了4,5-MDNI的热行为。结果表明,该目标化合物是一种热稳定性好、高能钝感的低熔点炸药,有望成为替代TNT的新型熔铸炸药载体。

The single crystals of 1-methyl-4,5-dinitroimidazole（4,5-MDNI）were obtained by slow evaporation of the solvent at room temperature and the crystal structure was determined by a four-circle X-ray diffractmeter.The crystal structure is orthorhombic with space group Pna2（1）/n,a=8.412 3 ,b= 12.646 ,c= 6.562 7 ,V=698.2 3,Z=4,D=1.637 g/cm3,F（000）=352.The results show that the density determined by density bottle is 1.542 g/cm3 and the detonation velocity determined by high speed rotating mirror framing camera is 7 093 m/s.The 50% drop height of impact sensitivity H50 is 87.5 cm using a WL-1 drop hammer-meter.The DSC-TG technique was used to investigate the thermal behavior of the title compound,showing that the title compound is a low melting point explosive with good thermal stability,insensitivity and high energy and is expected to become a new melt-cast to replace TNT.