Synthesis,Crystal Structure and Thermal Behavior of 4,5-Dimethoxy-2-(dinitromethylene)imidazolidine

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A new energetic material,4,5-dimethoxy-2-(dinitromethylene)imidazolidine(DMDNI),was synthesized by the reaction of 4,5-dihydroxyl-2-(dinitromethylene)-imidazolidine(DDNI) and methanol,and structurally characterized by single crystal X-ray diffraction.DMDNI crystallized in triclinic space group P1,with crystal data a=0.4324(4) nm,b=1.3599(11) nm,c=1.7503(14) nm,α=77.406(14)°,β=84.494(15)°,γ=87.976(14)°,V=0.9997(14) nm 3,Z=4,μ=0.140 mm-1,F(000)=488,D c =1.556 g/cm 3,R 1 =0.0773 and wR 2 =0.1574.Thermal decomposition of DMDNI was studied,and its thermal decomposition process was divided into two stages.The first stage was a melting process and the second stage was an exothermic decomposition process.The enthalpy,apparent activation energy and pre-exponential constant of the exothermic decomposition reaction are-491.5 J/g,142.3 kJ/mol and 10 14.24 s-1,respectively.The critical temperature of thermal explosion is 162.47 °C.DMDNI has a lower thermal stability than DDNI but it is close to that of 4,5-diacetoxyl-2-(dinitromethylene)-imidazolidine(DADNI). A new energetic material, 4,5-dimethoxy-2- (dinitromethylene) imidazolidine (DMDNI), was synthesized by the reaction of 4,5-dihydroxyl- 2- (dinitromethylene) -imidazolidine (DDNI) and methanol, single crystal X-ray diffraction. DMDNI crystallized in triclinic space group P1 with crystal data a = 0.4324 (4) nm, b = 1.3599 (11) nm, c = 1.7503 (14) nm, β = 84.494 (15) °, γ = 87.976 (14) °, V = 0.9997 (14) nm 3, Z = 4, μ = 0.140 mm -1, F (000) = 488, D c = 1.556 g / cm 3, R 1 = 0.0773 and wR 2 = 0.1574.Thermal decomposition of DMDNI was studied, and its thermal decomposition process was divided into two stages.The first stage was a melting process and the second stage was an exothermic decomposition process.The enthalpy, apparent activation energy and pre-exponential constant of the exothermic decomposition reaction are-491.5 J / g, 142.3 kJ / mol and 10 14.24 s-1, respectively. The critical temperature of thermal explosion is 162.47 ° C. DMDNI has a lower thermal stability than DDNI but it is clos e to that of 4,5-diacetoxyl-2- (dinitromethylene) -imidazolidine (DADNI).
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