新型高能有机钾盐K(DNDZ)的晶体结构和热行为研究

合成了一种新型高能有机钾盐2-(二硝基亚甲基)-1，3-二氮杂环戊烷钾盐[K(DNDZ)]，并培养出单晶。该晶体属单斜晶系，空间群P2₁/n，晶胞参数为：a=0.506 31(19) nm，b=1.336 2(5) nm，c=1.164 9(4) nm，β=99.860(6)°，V=0.776 5(5) nm³，Z=4，μ=0.674 mm^-1，F(000)=432，D_c=1.815 g·cm^-3。用非等温DSC法研究了K(DNDZ)的热行为，第一放热分解反应的放热焓、表观活化能和指前因子分别为444.75 kJ·mol^-1，152.2 kJ·mol^-1和10^13.92 s^-1。其热爆炸的临界温度为208.63 ℃。

Structural Characterization and Thermal Behavior of a New High-Energy Organic Potassium Salt: K(DNDZ)

A new high-energy organic potassium salt,2-(dinitromethylene)-1,3-diazacyclopentane potassium salt [K(DNDZ)],was synthesized and structurally characterized.The crystal belongs to monoelinic system with space group P21/n and a=0.50631(19)nm,b=1.3362(5)nm,c=1.1649(4)nm,β=99.860(6)°,V=0.7765(5)nm3,Z=4,μ=0.674 mm-1,F(000)=432,and De=1.815 g·cm-3.Thermal behavior of K(DNDZ) was studied under the non-isothermal conditions by DSC method.The enthalpy,apparent activation energy and pre-exponential factor of the first exothermic decomposition reaction were 444.75 kJ·mol-1,152.2 kJ·mol-1 and 1013.92,respectively.The critical temperature of thermal explosion(Tb)for K(DNDZ)is 208.63℃.CCDC:675360.