两种多硝基偶氮苯类含能化合物的合成及其性能  

Synthesis and Properties of Two Kinds of Polynitroazobenzene Energetic Compounds

作　　者：杨晓明[1] 周铭锐[2] 林芯羽 李志敏[1] 王林[1] 张同来[1] YANG Xiao ming;ZHOU Ming rui;LIN Xin yu;LI Zhi min;WANG Lin;ZHANG Tong lai(State Key Laboratory of Explosion Science and Technology,Beijing Institute of Technology,Beijing 100081,China;Logistics center,China Academy of Launch Vehicle Technology,Beijing 100076,China)

机构地区：[1]北京理工大学爆炸科学与技术国家重点实验室,北京100081 [2]中国运载火箭技术研究院物流中心,北京100076

出　　处：《含能材料》2020年第4期344-351,共8页Chinese Journal of Energetic Materials

基　　金：爆炸科学与技术国家重点实验室重点基金项目资助(ZD KT1701,QNKT1901,YDKT1617);国家自然科学基金(21805008)。

摘　　要：为了研制新型耐热含能材料,合成了2,2′,4,4′,6,6′六氯3,3′,5,5′四硝基偶氮苯(HCTNAB)和4,4′二氯2,2′,3,3′,5,5′六硝基6,6′二甲氧基偶氮苯(DCHNDOCAB)两种新型的多硝偶氮苯化合物,通过元素分析、FTIR、X射线单晶衍射等表征了合成产物结构,应用DSC和TG DTG研究了其热稳定性,其中HCTNAB分解温度为266.8℃,DCHNDOCAB分解温度为269℃。基于Gaussian09程序、在6311++G^**基组水平上用B3LYP法对DCHNDOCAB分子结构进行优化和性能预估。研究发现:HCTNAB的是一种重要的含氯含能中间体;计算得DCHNDOCAB的爆速达到7117m s^-1,爆压为21.0GPa,有望成为一种新型的偶氮类耐热炸药。In the preparation of new heat resisting energetic materials,two new polynitroazobenzene energetic compounds,2,2′,4,4′,6,6′hexachloro 3,3′,5,5′tetranitroazobenzene(HCTNAB)and 4,4′dichloro 2,2′,3,3′,5,5′hexanitro 6,6′dime thoxy azobenzene(DCHNDOCAB),were prepared and their structures were determined by elemental analyses,FTIR,single crystal X ray diffraction analysis.Meanwhile,the thermal decomposition temperature was determined by differential scanning calorimetry(DSC)and TG DTG,the thermal decomposition temperature of HCTNAB is 266.8℃,and the thermal decomposi tion temperature of DCHNDOCAB is 269℃.To accomplish the performance prediction of DCHNDOCAB,we used the calcula tions that based upon the B3LYP(Becke three parameter Lee Yang Parr)/6311++G^**method gain optimized structure using Gaussian 09.Our research shows that HCTNAB can be seen as a vital energetic intermediate containing active chlorine.The cal culated detonation velocity of DCHNDOCAB is 7117 m s^-1,and the detonation pressure is 21.0 GPa,show that the DCHNDO CAB is hopeful to become a new heat resisting azo aromatic energetic materials.

关 键 词：含能材料 偶氮苯 合成 晶体结构 热分析 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] O64[理学—物理化学]