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

作　　者：WANG Min XU Kang-zhen HE Fei ZHANG Hang CHEN Yong-shun SONG Ji-rong ZHAO Feng-qi 

机构地区：[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

出　　处：《Chemical Research in Chinese Universities》2012年第4期716-720,共5页高等学校化学研究（英文版）

基　　金：Supported by the National Natural Science Foundation of China(No.20803058);the Basal Science Foundation of National Defense(No.B0920110005);the Science Program Foundation of Shaanxi Province,China(No.2011kjxx31);the Education Committee Foundation of Shaanxi Province,China(No.2010JK881)

摘　　要：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,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）.

关 键 词：Crystal structure Thermal behavior 4 5-Dimethoxy-2-（dinitromethylene）imidazolidine（DMDNI） 1 1-Diamino-2 2-dinitroethylene（FOX-7） 

分 类 号：O614.121[理学—无机化学] TQ264.1[理学—化学]