【摘要】 合成了三种基于3,6-双（1-氢-1,2,3,4-四唑-5-氨基）-s-四嗪（BTATz）的含能离子盐:二甲胺盐（DMAB）,1,3-丙二胺盐（PDAB）和1,4-丁二铵盐（BDAB）。用IR,¹H NMR,¹³C NMR和元素分析表征了DMAB、PDAB和BDAB的结构。采用X-射线单晶衍射测定了PDAB的晶体结构。计算了PDAB的爆速（D）和爆压（p）。用DSC和TG-DTG研究了DMAB、PDAB和BDAB的热分解行为。计算了自加速分解温度(T_SADT),热爆炸临界温度（T_b）,热点火温度(T_TIT)及绝热至爆时间(t_TIAD)。结果表明,PDAB晶体属于单斜晶系,C2/c空间群,晶胞参数:a=2.2699（10）nm,b=0.5098（2）nm,c=1.6449（6）nm,β=93.045（15）°,V=1.9008（13）nm3,Dc=1.504 g·cm^-3,Z=4,F（000）=912,μ=0.127 mm^-1,R₁=0.0673,wR ₂=0.2002。PDAB的爆速和爆压分别为8862.09 m·s^-1和32.15 GPa。DMAB、PDAB和BDAB的TSADT值分别为576.87,511.90,521.55 K,显示DMAB的热稳定性优于PDAB和BDAB。DMAB、PDAB和BDAB均可作为潜在的含能材料且DMAB的性能优于PDAB和BDAB。更多还原

【Abstract】 Three kinds of energetic ionic salts,dimethylaminium salt（ DMAB）,1,3-propanediaminium salt（ PDAB） and 1,4-butanediaminium salt（ BDAB）of 3,6-bis( 1H^-1,2,3,4-tetrazol-5-yl-amino)-s-tetrazine（ BTATz） were synthesized. The structures of DMAB,PDAB and BDAB were characterized by IR,¹H NMR,¹³CNMR and elemental analyses. The crystal structure of PDAB was determined by X-ray single crystal diffraction. The detonation velocity（ D） and detonation pressure（ p） of PDAB were calculated. The thermal decomposition behaviors of DMAB,PDAB and BDAB were studied by DSC and TG-DTG. The selfaccelerating decomposition temperature( T_SADT),the critical temperature of thermal explosion（T_b）,the thermal ignition temperature( T_TIT) and adiabatic time-to-explosion( t_TIAD) were calculated. Results show that the crystal of PDAB is monoclinic,space group C2/c with crystal parameters of a = 2.2699（10）nm,b = 0.5098（ 2） nm,c = 1.6449（ 6） nm,β = 93.045（ 15） °,V = 1.9008（ 13） nm³,D_c= 1.504 g·cm^-3,Z = 4,F（000）= 912,μ = 0.127 mm^-1,R₁= 0.0673 and w R₂= 0.2002. The values of D and p of PDAB are 8862.09 m· s^-1and 32.15 GPa,respectively. The values of TSADTof DMAB、PDAB and BDAB are576.87 K,511.90 K and 521.55 K,respectively,revealing that DMAB has higher thermal stability than PDAB and BDAB. DMAB,PDAB and BDAB can be used as potential energetic materials and the property of DMAB is better than that of PDAB and BDAB.更多还原