Yang Qi, Yang Guoli, Zhang Wendou, Zhang Sheng, Yang Zhaohui, Xie Gang, Wei Qing, Chen Sanping, Gao Shengli
Key Laboratory of Synthetic and Natural Functional Molecule Chemistry of Ministry of Education, College of Chemistry and Materials Science, Northwest University, Xi'an, 710127, P. R. China.
College of Chemistry and Chemical Engineering, Baoji University of Arts and Sciences, Baoji, 721013, P. R. China.
Chemistry. 2017 Jul 6;23(38):9149-9155. doi: 10.1002/chem.201701325. Epub 2017 Jun 21.
A new solvent-free energetic MOF, [Pb(HBTI)] (1) (H BTI=4,5-bis(1H-tetrazole)-1H-imidazole), has been synthesized under hydrothermal and acidic conditions. It was characterized by elemental analysis, IR, thermogravimetric, differential scanning calorimetry (DSC) and SEM. Single crystal X-ray diffraction analysis revealed that 1 features a rigid 3D framework architecture free of solvent molecules. Thermal analysis demonstrated that the thermostability of 1 was up to 325 °C. Non-isothermal kinetic and apparent thermodynamic parameters of exothermic decomposition process of 1 were determined by Kissinger's and Ozawa's methods. Through oxygen-bomb combustion calorimetry, the standard molar enthalpy of formation of 1 was determined. The calculated detonation properties (heat of detonation, detonation velocity and detonation pressure) and sensitivity tests of 1 were carried out. In addition, 1 was explored as combustion promoter to accelerate the thermal decompositions of ammonium perchlorate (AP) by differential scanning calorimetry. Experimental results indicated that 1 possesses potential application prospects in the field of explosives and propellants.
一种新型无溶剂含能金属有机框架化合物[Pb(HBTI)](1)(HBTI = 4,5-双(1H-四唑)-1H-咪唑)已在水热和酸性条件下合成。通过元素分析、红外光谱、热重分析、差示扫描量热法(DSC)和扫描电子显微镜对其进行了表征。单晶X射线衍射分析表明,1具有不含溶剂分子的刚性三维骨架结构。热分析表明,1的热稳定性高达325°C。采用基辛格法和小泽法测定了1的放热分解过程的非等温动力学和表观热力学参数。通过氧弹燃烧量热法测定了1的标准摩尔生成焓。对1进行了爆轰性能(爆轰热、爆速和爆压)计算及感度测试。此外,通过差示扫描量热法研究了1作为燃烧促进剂对高氯酸铵(AP)热分解的加速作用。实验结果表明,1在炸药和推进剂领域具有潜在的应用前景。