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

作　　者：徐抗震 王敏 张航 严彪 宋纪蓉 王伯周 赵凤起 

机构地区：[1]Department of Chemical Engineering, Northwest University, Xi ＇an, Shaanxi 710069, China [2]The Palace Museum, Beijing 100009, China [3]Xi＇an Modern Chemistry Research Institute, Xi＇an, Shaanxi 710065, China

出　　处：《Chinese Journal of Chemistry》2011年第11期2293-2300,共8页中国化学（英文版）

基　　金：Project supported by the National Natural Science Foundation of China （No. 20803058）, Basal Science Foundation of National Defense （No. B0920110005） and the Education Committee Foundation of Shaanxi Province （No. 2010JK881）.

摘　　要：A new energetic material, 4,5-diacetoxyl-2-（dinitromethylene）-imidazolidine （DADNI）, was synthesized by the reaction of 4,5-dihydroxyl-2-（dinitromethylene）-imidazolidine （DDNI） and acetic anhydride, and characterized by single crystal X-ray diffraction. Crystal data for DADNI are monoclinic, space group C2/c, a= 15.9167（3）A, b= 8.6816（4）A, c=8.5209（3） A, t= 103.294（9）°, V= 1145.9（3） A3, Z=4,A=0.150 mm 1, F（000）=600, Dc= 1.682 gocm-3, R] =0.0565 and wR2=0.1649. Thermal decomposition behavior of DADNI was studied and an intensely exothermic process was observed. The kinetic equation of the decomposition reaction is：exp（-1.582 ×10^5/RT）. The critical temperature of thermal explosion is 163.76℃. The specific heat capacity of DADNI was studied with micro-DSC method and theoretical calculation method. The molar heat capacity is 343.30 J·mol^-1·K^-1 at 298.15 K. The adiabatic time-to-explosion of DADNI was calculated to be 87.7 s.A new energetic material, 4,5-diacetoxyl-2-（dinitromethylene）-imidazolidine （DADNI）, was synthesized by the reaction of 4,5-dihydroxyl-2-（dinitromethylene）-imidazolidine （DDNI） and acetic anhydride, and characterized by single crystal X-ray diffraction. Crystal data for DADNI are monoclinic, space group C2/c, a= 15.9167（3）A, b= 8.6816（4）A, c=8.5209（3） A, t= 103.294（9）°, V= 1145.9（3） A3, Z=4,A=0.150 mm 1, F（000）=600, Dc= 1.682 gocm-3, R] =0.0565 and wR2=0.1649. Thermal decomposition behavior of DADNI was studied and an intensely exothermic process was observed. The kinetic equation of the decomposition reaction is：exp（-1.582 ×10^5/RT）. The critical temperature of thermal explosion is 163.76℃. The specific heat capacity of DADNI was studied with micro-DSC method and theoretical calculation method. The molar heat capacity is 343.30 J·mol^-1·K^-1 at 298.15 K. The adiabatic time-to-explosion of DADNI was calculated to be 87.7 s.

关 键 词：crystal structure thermal behavior 4 5-diacetoxyl-2-（dinitromethylene）-imidazolidine （DADNI） 1 1-diamino-2 2-dinitroethylene （FOX-7） acetic anhydride 

分 类 号：O626.23[理学—有机化学] TB333[理学—化学]