含能材料2024，Vol.32Issue(6)：608-614,7.DOI:10.11943/CJEM2023270
5-氨基-2H-吡唑-3,4-双酮-3-肟-4-腙及其含能离子盐的合成与性能调控
Synthesis and Performance Adjustments of 5-amino-2H-pyrazol-3,4-dione-3-oxime-4-hydrazone and Its Energetic Salts
摘要
Abstract
5-amino-2H-pyrazol-3,4-dione-3-oxime-4-hydrazone(3)and its perchlorate(4),nitrate(5)and 5,5'-dinitramino-3,3'-azo-1,2,4-oxadiazolate salts(6)were prepared from 4-chloro-3,5-dinitro-1H-pyrazole via amination and substitution/reduc-tion reactions.The single crystals of 3 and 4 were obtained by solvent evaporation method and the crystals were characterized by single crystal X-ray diffraction.The structures of energetic compounds 3-6 were characterized by nuclear magnetic resonance spectroscopy and infrared spectroscopy.Moreover,the capacities of those compounds were confirmed by gas pycnometer,dif-ferential scanning calorimetry,impact and friction sensitivity testers.Their enthalpies of formation and detonation parameters were estimated using theoretical calculation methods.The results show that 3 has a planar molecular configuration.The ketone oxime and ketone hydrazone have unique double bond characteristics,reducing the conjugation of the pyrazole ring and mak-ing it easier to form salts.After salt formation,different anions have various effects on the performance of the neutral compound.Among those examined anions,the perchlorate anion not only improves the oxygen balance,but also increases the density,re-sulting in the detonation velocity and pressure of 4(8499 m·s-1 and 30.2 GPa)higher than 3(8072 m·s-1 and 22.5 GPa).In ad-dition,5,5'-dinitramino-3,3'-azo-1,2,4-oxadiazole significantly increases the decomposition temperature of 3,rising from 135℃to 285℃.These results indicate that a rational combination of anions and cations can effectively regulate the performanc-es of target energetic compound.关键词
吡唑/含能离子盐/合成/表征Key words
pyrazole/energetic salts/synthesis/characterization分类
军事科技引用本文复制引用
胡李劲草,孙环宇,安子伟,赵子昌,黄伟,刘雨季..5-氨基-2H-吡唑-3,4-双酮-3-肟-4-腙及其含能离子盐的合成与性能调控[J].含能材料,2024,32(6):608-614,7.基金项目
国家自然科学基金(22305121) National Natural Science Foundation of China(No.22305121) （22305121）
