N,N'-二(氟偕二硝基乙基)-3,4-二硝胺呋咱(LLM-209)的晶体结构及热分解性质

Crystal Structure and Thermal Decomposition Properties of N,N'-Bis(2-fluoro-2,2'-dinitroethyl)-3,4-dinitraminefurazan

0℃下,用发烟硝酸(98%)/乙酸酐(体积比10∶8)体系对N,N′-二(氟偕二硝基乙基)-3,4-二氨基呋咱(LLM-208)进行硝化,由LLM-208得到硝胺化合物N,N′-二(氟偕二硝基乙基)-3,4-二硝胺呋咱(LLM-209)。在无水甲醇中挥发培养,获得LLM-209的单晶,用X射线单晶衍射仪测试了其单晶结构。通过热重及差示扫描量热仪(TG-DSC)研究了LLM-209的热分解性能,用热重-红外联用仪测试了其气态分解产物,用EXPLO5(V6.02)程序预估了其爆速和爆压,用感度测试仪测试了其撞击感度和摩擦感度。结果表明,LLM-209属于单斜晶系,空间群P2_1/n,298 K下的晶体密度为1.94 g·cm^(-3)。LLM-209有一个熔化吸热峰(94.27℃)和两个明显的分解放热峰(179.96℃和233.86℃)。LLM-209的气态分解产物主要为NO_2、CO_2、CO和N_2O。LLM-209的理论爆速和爆压分别为8981 km·s^(-1)和40.3 GPa。LLM-209的撞击感度和摩擦感度分别为4 J和48 N。

N,N'?Bis(fluorodinitroethyl)?3,4?diamino furazan (LLM?208) was nitrated using the nitration system of 98% fuming nitric acid/acetic anhydride (10∶8 in volume) at 0 ℃. N,N′?bis(2?fluoro?2,2′?dinitroethyl)?3,4?dinitraminefurazan (LLM?209) was prepared from LLM?208. The single crystal of LLM?209 was obtained by volatilization culture in anhydrous methanol. The single crystal structure was measured by X?ray single crystal diffractometer. The thermal decomposition of LLM?209 was studied by thermogravimetry and differential scanning calorimeter(TG?DSC). The gaseous products of thermal decomposition of LLM?209 were measured by TG?IR. The detonation velocity and detonation presure of LLM?209 were predicted by EXPLO5(V6.02) program. Its impact and friction sensitivities were measured by sensitivity test.Results show that the crystal of LLM?209 belongs to the monoclinic system, space group P21/n, and its density at 298 K is 1.94 g·cm-3. LLM?209 has a melting endothermic peak at 94.27 ℃ and two distinct decomposition exothermic peaks at 179.96 ℃ and 233.86 ℃. The gaseous products of thermal decomposition of LLM?209 are mainly NO2,CO2,CO and N2O. The theoretical detonation velocity and detonation presure of LLM?209 are 8981 km·s-1 and 40.3 GPa, respectively, and the impact and friction sensitivities are 4 J and 48 N, respectively.