含能金属有机框架[Ag_(2)(HOBTT)]_(n)的制备与性能表征  

Synthesis and Properties Characterization of Energetic Metal-organic Framework[Ag_(2)(HOBTT)]_(n)

作　　者：罗利琼 金波 彭汝芳 LUO Li-qiong;JIN Bo;PENG Ru-fang(State Key Laboratory of Environmental-friendly Energy Materials,Southwest University of Science and Technology,Mianyang Sichuan 621010,China)

机构地区：[1]西南科技大学环境友好能源材料国家重点实验室,四川绵阳621010

出　　处：《火炸药学报》2024年第9期779-785,I0001,共8页Chinese Journal of Explosives & Propellants

基　　金：国家自然科学基金(No.22275151,No.22305197);西南科技大学博士基金(No.22zx7135);环境友好能源材料国家重点实验室开放基金(No.22fksy18)。

摘　　要：以4,5-二(1-羟基-四唑)-1,2,3-三唑(H 3OBTT)为配体,Ag(Ⅰ)作为金属中心,采用溶剂热法合成了一种新的含能金属有机框架材料[Ag_(2)(HOBTT)]_(n);通过单晶X射线衍射(SXRD)、粉末X射线衍射(PXRD)、元素分析(EA)和红外光谱(IR)表征了其结构;采用差示扫描量热仪(DSC)和热重分析仪(TG)研究了其热稳定性,基于Kissinger法获得了非等温热分解动力学参数;通过撞击感度仪、摩擦感度仪考察了[Ag_(2)(HOBTT)]_(n)的机械感度;根据GGA-PBE泛函得到[Ag_(2)(HOBTT)]_(n)的爆炸热,并结合Kamlet-Jacobs方程计算得到爆速和爆压。结果表明,[Ag_(2)(HOBTT)]_(n)为三维框架结构,结构中不含溶剂分子,晶体属于斜方晶系、Fddd空间群,晶体密度为3.309 g/cm^(3),起始热分解温度为586.6 K,热分解动力学参数分别为E_(a)=255.18 kJ/mol、ln(A/s^(-1))=43.30,撞击感度IS>40 J、摩擦感度FS=108 N,爆速为7.68 km/s,爆压为35.08 GPa。表明[Ag_(2)(HOBTT)]_(n)热稳定性好,机械感度适中,爆轰性能优异,是一种具有应用前景的含能材料。A new energetic metal-organic framework,[Ag_(2)(HOBTT)]_(n),was prepared by solvothermal method using 4,5-bis(1-hydroxy-tetrazol)-1,2,3-triazole(H 3 OBTT)as ligand and Ag(Ⅰ)as metal center.The structure was characterized by single crystal X-ray diffraction(SXRD),powder X-ray diffraction(PXRD),infrared spectroscopy(IR)and elemental analysis(EA).The thermal stability was studied by differential scanning calorimeter(DSC)and thermogravimetric(TG)analyzer.The non-isothermal kinetic parameters of thermal decomposition were calculated by Kissinger′s method.The mechanical sensitivities of[Ag_(2)(HOBTT)]_(n)were investigated by impact sensitivity meter and friction sensitivity meter.The GGA-PBE functional was used to calculate the detonation heat,and the detonation velocity and detonation pressure were obtained by Kamlet-Jacobs equation.The results show that[Ag_(2)(HOBTT)]_(n)is a three-dimensional solvent-free framework,belonging to the orthorhombic crystal system and Fddd space group with crystal density of 3.309 g/cm^(3).The initial thermal decomposition temperature of[Ag_(2)(HOBTT)]_(n)is 586.6 K,corresponding thermal decomposition kinetic parameters E_(a)=255.18 kJ/mol and ln(A/s^(-1))=43.30.Its impact sensitivity is greater than 40 J,friction sensitivity is 108 N,detonation velocity and detonation pressure are 9.73 km/s and 56.38 GPa,respectively,showing that[Ag_(2)(HOBTT)]_(n)is a kind of promising energetic material with good thermal stability,moderate mechanical sensitivity,and excellent detonation performance.

关 键 词：含能材料 金属有机框架 4 5-二(1-羟基-四唑)-1 2 3-三唑 晶体结构 EMOF 

分 类 号：TJ55[兵器科学与技术—军事化学与烟火技术] TQ560[化学工程—炸药化工]