摘要
以五唑银盐(或五唑羟胺盐)和盐酸羟胺为原料,设计并合成了一种新型的基于五唑阴离子的含能共晶化合物(NH_(3)OH+N_(5)-)_(2)·NH_(3)OH+Cl^(-)·H_(2)O。采用单晶X‑射线衍射分析(XRD)、傅里叶红外光谱(IR)和元素分析对该化合物的结构进行了表征,晶体属于单斜晶系,P21/n空间群,晶胞参数为a=3.8390(6)Å,b=14.665(2)Å,c=21.975(3)Å,V=1236.4(3)Å3,α=γ=90°,β=92.034(3)°,Z=1,D_(c)=1.589 g·cm^(-3)。利用差示扫描量热仪(DSC)和热失重分析仪(TG)对(NH_(3)OH+N_(5)-)_(2)·NH_(3)OH+Cl^(-)·H_(2)O的热稳定性进行了研究,结果显示其初始分解温度约为95.6℃,热稳定性良好。通过EXPLO5计算其爆速为8260 m·s^(-1),爆压为23.79 GPa。该共晶化合物具有较低的撞击和摩擦感度(IS>40 J;FS>360 N),盐酸羟胺的共结晶大大降低了NH_(3)OH+N_(5)-的机械感度。
A cyclo‑pentazolate anion‑based energetic cocrystal(NH_(3)OH+N_(5)-)_(2)·NH_(3)OH+Cl^(-)·H_(2)O was designed and synthesized by AgN_(5)(or NH_(3)OH+N_(5)-)and hydroxylamine hydrochloride(NH_(3)OH+Cl^(-))as raw materials.The structure of the compound was characterized by X‑ray single crystal diffraction,infrared spectroscopy and elemental analysis.The structure belongs to the monoclinic crystal system,the P21/n space group,a=3.8390(6)Å,b=14.665(2)Å,c=21.975(3)Å,V=1236.4(3)Å3,α=γ=90°,β=92.034(3)°,Z=1,D_(c)=1.589 g·cm^(-3).In addition,the thermal stability of(NH_(3)OH+N_(5)-)_(2)·NH_(3)OH+Cl^(-)·H_(2)O was studied using DSC and TG,and the results showed that its initial decomposition temperature was about 95.6℃.Its detonation velocity and detonation pressure were calculated by EXPLO5 to be 8260 m·s^(-1) and 23.79 GPa.(NH_(3)OH+N_(5)-)_(2)·NH_(3)OH+Cl^(-)·H_(2)O has low im‑pact and friction sensitivities(IS>40 J;FS>360 N),as the cocrystal of hydroxylamine hydrochloride can greatly reduce the mechanical sensitivity of NH_(3)OH+N_(5)-.
作者
袁媛
侯天阳
李冬雪
许元刚
陆明
YUAN Yuan;HOU Tian-yang;LI Dong-xue;XU Yuan-gang;LU Ming(School of Chemistry and Chemical Engineering,Nanjing University of Science and Technology,Nanjing 210094,China;China National Quality Supervision Testing Center for Industrial Explosive Materials,Nanjing 210094,China)
出处
《含能材料》
EI
CAS
CSCD
北大核心
2022年第2期96-102,共7页
Chinese Journal of Energetic Materials
基金
国家自然科学基金资助(21975127,22135003,22105102)。
关键词
含能材料
五唑负离子
含能共晶
合成
晶体结构
energetic material
pentazolate anion
energetic cocrystal
synthesis
crystal structure
