摘要
为了获得性能优良的含能材料,以4‐氯吡唑为原料,经硝化、水解、酸化及成盐反应合成了一种新型含能离子盐4‐羟基‐3,5‐二硝基吡唑胍盐(DNPOG),采用红外光谱、核磁共振分析及元素分析对其结构进行了表征,培养得到了DNPOG单晶,晶体结构为三斜晶系,空间群为P‐1,相对分子质量Mr=233.17 g·cm^(-1),晶胞参数a=4.8958(5)Å,b=8.1933(8)Å,c=11.9669(11)Å,Z=2,晶体密度Dc=1.750 g·cm^(-3);计算研究了DNPOG晶体中的氢键及π‐π共轭作用对其分子间相互作用力的贡献,其氢键占比为47%;采用差式扫描量热仪(DSC)和热失重仪(TG)研究了其热分解特性,其第一分解峰温为212.5℃;研究了DNPOG爆轰与安全性能,爆速7871 m·s^(-1)、爆压23.8 GPa、生成焓为-160.2 kJ·mol^(-1)、撞击感度20 J、摩擦感度240 N。研究结果表明,DNPOG为层状堆积,热稳定性较好、感度较低,是一种性能优良的低感炸药。
In order to obtain energetic materials with excellent performance,a new type of energetic ionic salt 4‐hydroxy‐3,5‐dinitropyrazole guanidine salt(DNPOG)was synthesized by nitration,hydrolysis,acidification and salt formation reaction with 4‐chloropyrazole as raw material.The structure was characterized by FTIR,NMR and EA analysis.The crystal structure of DNPOG was triclinic with space group P‐1,relative molecular mass M_(r)=233.17 g·cm^(-1),a=4.8958(5)Å,b=8.1933(8)Å,c=11.9669(11)Å,Z=2,and crystal density D_(c)=1.750 g·cm^(-3).The contribution of hydrogen bond andπ‐πconjugation in DNPOG to the intermolecular interaction force was calculated and studied,and the hydrogen bond accounted for 47%.The thermal decomposition characteristics were investigated by differential scanning calorimetry(DSC)and thermogravimetry(TG).The peak temperature of the first decomposition was 212.5℃.The detonation and safety properties of DNPOG were studied.The detonation velocity is 7871 m·s^(-1),the detonation pressure is 23.8 GPa,the formation enthalpy is-160.2 kJ·mol^(-1),the impact sensitivity is 20 J,and the friction sensitivity is 240 N.The results show that DNPOG is layered accumulation,with good thermal stability and low sensitivity,which is a kind of low sensitivity explosive with excellent performance.
作者
董文帅
曹文丽
毕玉帆
胡勇
王霆威
张建国
DONG Wen-shuai;CAO Wen-li;BI Yu-fan;HU Yong;WANG Ting-wei;ZHANG Jian-guo(State Key Laboratory of Explosion Science and Technology,Beijing Institute of Technology,Beijing 100081,China)
出处
《含能材料》
EI
CAS
CSCD
北大核心
2021年第8期726-731,I0006,共7页
Chinese Journal of Energetic Materials
基金
国家自然科学基金资助(U1830134)。
