摘要
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。
The title compound was synthesized with 4-amino-1,2,4-triazole methanol solution and 3,5-dinitrobenzoic acid methanol solution.Single crystals suitable for X-ray measurement were obtained at room temperature.The crystal is monoclinic system,space group C2/c with crystal parameters of a=1.816（2）nm,b=0.481 8（5） nm,c=2.616（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.The specific heat capacity was determined by means of micro-DSC Ⅲ apparatus and the standard molar heat capacity is 247.23 J·mol-1·K-1 in 298.15 K.The relationship between the specific heat capacity of the compound and the thermodynamic temperature is Cp（J·g-1·K-1）=1.227 780-3.754 315×10-3T＋8.176 156×10-6 T2.The thermal decomposition of the compound was researched by NETZSCH TASC 414/3A thermal analyzer,the results show that the thermal decomposition of the compound includes an endothermic melting process and two exothermic decomposition process.
出处
《火炸药学报》
EI
CAS
CSCD
北大核心
2011年第3期6-11,共6页
Chinese Journal of Explosives & Propellants
基金
国家自然科学基金(No.20803058)
2008年度装备预研重点基金项目(No.9140A28020308BQ3402)
