1-甲基-2,4-二硝基咪唑的晶体结构与热力学性质  

Crystal Structure and Thermodynamic Properties of 1-Methyl-2,4-dinitroimidazole

作　　者：张晓玉[1] 池钰[1] 黄明[1] 王军[1] 

机构地区：[1]中国工程物理研究院化工材料研究所,四川绵阳621900

出　　处：《含能材料》2012年第6期685-689,共5页Chinese Journal of Energetic Materials

基　　金：中国工程物理研究院科学技术发展基金(2012B0302036)

摘　　要：以咪唑为原料,经两步硝化、热重排、甲基化等反应合成了1-甲基-2,4-二硝基咪唑(2,4-MDNI)。用丙酮培养了单晶,经四圆单晶X射线衍射仪测试得到了晶体结构:属正交晶系,P212121空间群,a=6.215(12),b=9.431(19),c=23.531(5),V=1379.3(5)3,ρ=1.658 g.cm-3,Z=8,F(000)=704,μ=0.149 mm-1。DSC和TG结果显示,2,4-MDNI外推起始分解温度为341℃,具有良好的热稳定性,在不同测试条件下,具有不同的热力学行为。1-Methyl-2, 4-dinitroimidazole（2,4-MDNI） was synthesized via nitration, thermal rearrangement and methylation with imidazole as primary material. The single crystal of 1-methyl-2, 4-MDNI was cultivated in acetone and its crystal structure was determined bya four-circle X-ray diffractometer. The results indicate that the crystal is orthorhombic, space group P212121, with crystal parameters： a=6.215（12）A, b=9.431（19）A, c=23.531（5）A, V=1379.3（5）A,α=β=γ= 90°, Dc =1.658 g·cm-3, Z=8, F（000） =704 and μ=0.149 mm-1. The results reveal that2,4-MDNI has good thermal stability, and exhibits different thermodynamic behavior under different conditions.

关 键 词：物理化学 含能材料 1-甲基-2 4-二硝基咪唑 晶体结构 热性质 

分 类 号：TQ560.1[化学工程—炸药化工]