Synthesis,Crystal Structure and Thermal Behavior of 4,5-Dimethoxy-2-(dinitromethylene)imidazolidine |
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Authors: | WANG Min XU Kang-zhen HE Fei ZHANG Hang CHEN Yong-shun SONG Ji-rong ZHAO Feng-qi |
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Affiliation: | 1. School of Chemical Engineering, Northwest University, Xi’an 710069, P. R. China; 2. The Palace Museum, Beijing 100009, P. R. China; 3. Science and Technology on Combustion and Explosion Laboratory, Xi’an Modern Chemistry Research Institute, Xi’an 710065, P. R. China |
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Abstract: | 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 P, 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) nm3, Z=4, μ=0.140 mm-1, F(000)=488, Dc=1.556 g/cm3, R1=0.0773 and wR2=0.1574. Thermal decomposition of DMDNI was studied, and its thermal decomposition process was divided into two stages. The first stage was a mel- ting 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 1014.24 s-1, respectively. The critical temperature of thermal explosion is 162.47℃. DMDNI has a lower thermal stability than DDNI but it is close to that of 4,5-diacetoxyl-2-(dinitromethylene)-imidazolidine(DADNI). |
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Keywords: | Crystal structure Thermal behavior 4 5-Dimethoxy-2-(dinitromethylene)imidazolidine(DMDNI) 1 1-Diamino- 2 2-dinitroethylene(FOX-7) |
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