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用4-氨基-1,2,4-三唑的甲醇溶液与3,5-二硝基苯甲酸的甲醇溶液合成了4-氨基-1,2,4-三唑-3,5-二硝基苯甲酸盐。室温下培养出单晶,通过X射线衍射测定晶体结构,晶体属于单斜系,空间群为C2/c,晶胞参数为:a=1.816 0(2)nm,b=0.481 8(5)nm,c=2.616 0(3)nm,α=γ=90°,β=101.764(16)°,V=2.241(4)nm3,Dc=1.756 g/cm3,Z=8,F(000)=1 216,R1=0.060 5,wR2=0.190 4。运用Micro-DSCⅢ微热仪测定化合物的比热容,298.15 K下标准摩尔比热容为247.23 J.mol-1.K-1,比热容与温度的关系式为:Cp=1.227 780-3.754 315×10-3T+8.176 156×10-6T2。用NETZSCH TASC 414/3A热分析仪研究了化合物的热分解行为,结果显示,该化合物的热分解过程包括一个吸热熔化过程和两个放热分解过程。
4-Amino-1,2,4-triazole-3,5-dinitration was synthesized using 4-amino-1,2,4-triazole in methanol and 3,5-dinitrobenzoic acid in methanol Benzyl benzoate. Single crystals were grown at room temperature. The crystal structure was determined by X-ray diffraction. The crystal belongs to the monoclinic system with space group C2 / c. The unit cell parameters are: a = 1.816 0 (2) nm, b = 0.481 8 (c) = 2.616 0 (3) nm, α = γ = 90 °, β = 101.764 (16) °, V = 2.241 (4) nm3, Dc = 1.756 g / cm3, 216, R1 = 0.0605, wR2 = 0.190 4. The specific heat capacity of the compound was determined by Micro-DSC microthermometer. The standard molar heat capacity at 298.15 K was 247.23 J.mol-1.K-1. The specific heat capacity and temperature were: Cp = 1.227 780-3.754 315 × 10-3T + 8.176 156 × 10-6T2. The thermal decomposition behavior of the compounds was investigated by NETZSCH TASC 414 / 3A thermal analyzer. The results showed that the thermal decomposition of the compound includes one endothermic melting process and two exothermic decomposition processes.