Cu(NH_3)_2(FOX-7)_2的晶体结构和热行为  

Crystal Structure and Thermal Behavior of Cu(NH_3)_2(FOX-7)_2

作　　者：陈咏顺[1] 徐抗震[1] 王敏[1] 马海霞[1] 赵凤起[2] 

机构地区：[1]西北大学化工学院,陕西西安710069 [2]西安近代化学研究所,陕西西安710065

出　　处：《火炸药学报》2011年第4期5-9,共5页Chinese Journal of Explosives & Propellants

基　　金：国家自然科学基金(20803058);陕西省教育厅科技专项基金(2010JK881);火炸药国防科技重点实验室基金(9140C3503010905)资助

摘　　要：用1,1-二氨基-2,2-二硝基乙烯的钾盐[K(FOX-7).H2O]和硝酸铜在氨水体系中合成了Cu(NH3)2(FOX-7)2,并培养得到了单晶。该晶体为单斜晶系,空间群P21/c,a=0.688 18(7)nm,b=0.730 83(8)nm,c=1.319 66(14)nm,β=95.986°,V=0.660 09(12)nm3,Dc=1.972 g/cm,μ=0.862 mm-1,F(000)=199,Z=2,R1=0.034 4,wR2=0.098 9。利用DSC研究了Cu(NH3)2(FOX-7)2的热分解行为。结果表明,Cu(NH3)2(FOX-7)2第一放热分解过程的放热焓、表观活化能、指前因子分别为-439.0 J/g,140.2 kJ/mol和14.78 s-1,热爆炸的临界温度为152.86℃,热稳定性低于FOX-7。A metal coordination compound, Cu（NH3）2 （FOX7）2, was synthesized by mixing 1,1 diamino-2,2-dinitroethylene potassium salt EK（FOX-7）·H2O1 and Cu（NO3）2·3H2O in aqua ammonia. Single crystals suitable for X-ray measurement were obtained by slow evaporation in aqua ammonia at room temperature. Crystals of Cu（CHa ）2 （FOX-7）2 revealed the following parameters：monoclinic,space group P21/c,a=0. 68818（7）nm,b=0. 73083（8）nm, c=1.31966（14） nm,β=95.986°,V=0. 66009（12）nm2,Dc=1.972g/cm3,μ=0. 862mm 1,F（000） 199,Z=-2,R1=0. 0344,wR2=0. 0989. Thermal decomposition behavior of Cu（NH3）2 （FOX-7）2 was studied under the non-iso- thermal conditions by DSC method. The enthalpy,apparent activation energy and pre exponential constant of the first exothermic decomposition reaction are --439.0 J/g, 140.2 kJ/mol and 14.78 s-1 , respectively. The critical temperature of thermal explosion for Cu（NH3）2 （FOX 7）2 is 152.86℃. Cu（NH3）2（FOX-7）2 presents lower thermal stabili- ty than FOX-7.

关 键 词：物理化学 1 1-二氨基-2 2-二硝基乙烯(FOX-7) 铜(Ⅱ)配合物 晶体结构 热行为 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] O62[理学—有机化学]