火炸药学报2023，Vol.46Issue(12)：1073-1078,6.DOI:10.14077/j.issn.1007-7812.202303033
3,5-二氨基苦味酸及其金属配合物的合成、晶体结构与性能分析
Synthesis,Crystal Structure and Properties of 3,5-Diaminopicric Acid and Its Metal Complexes
摘要
Abstract
To solve the problems of high sensitivity and high acidity of 2,4,6-trinitrophenol(TNP),a TATB analogue of 3,5-diaminopicric acid(DAP)and its sodium salt(SDAP)were synthesized through amination and coordination reactions by using TNP as raw material.The structures were characterized by single crystal X-ray diffraction analysis and IR spectroscopy.The thermal behaviors were studied by simultaneous thermal analyzer(TG-DSC).The detonation parameters were calculated using Gaussian 09 program and Kamlet-Jacobs equation.The results show that DAP belongs to the orthomorphic system,P21 space group.The crystal density is 1.88g/cm3,and the initial chemical decomposition temperature is 265 ℃.The theoretical deto-nation velocity is 8 527m/s and the theoretical detonation pressure is 33.1 GPa for DAP.SDAP belongs to the triclinic system,-1 space group.The crystal density is 1.94 g/cm3,and the initial chemical decomposition temperature is 314 ℃.The theo-retical detonation velocity is 8332m/s and the theoretical detonation pressure is 32.1 GPa for SDAP,which are equivalent to 1,3,5-triamino-2,4,6-trinitrobenzene(TATB).Based on the typical layered molecular arrangement,their measured me-chanical sensitivities are significantly lower than those of TNP.Both DAP and SDAP show good thermal stability and safety per-formances.关键词
有机化学/2,4,6-三硝基苯酚/氨基化/配位反应/TATB类似物/DAP/SDAP/TNPKey words
organic chemistry/2,4,6-trinitrophenol/amination/coordination reactions/TATB analogue/DAP/SDAP/TNP分类
军事科技引用本文复制引用
孙善虎,王菲,闫镒腾,胡遵健,索志荣..3,5-二氨基苦味酸及其金属配合物的合成、晶体结构与性能分析[J].火炸药学报,2023,46(12):1073-1078,6.基金项目
西南科技大学博士基金项目(No.22zx7134) （No.22zx7134）
西南科技大学大学生创新基金项目(No.CX23-016) （No.CX23-016）
