4,4’,5,5’-四硝基-2<i>H</i>,2’<i>H</i>-3,3’联吡唑（TNBP）系列金属盐的合成、结构表征与性能研究<div id="imt-webext" />-《爆破器材》

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Title:: Synthesis, Structural Characterization, and Performance Evaluation of Metal Salts of 4,4’,5,5’-Tetranitro-2H, 2’H-3, 3’-Bipyrazole (TNBP)

作者:: 赵立^① ; 王小军^②; 尚凤琴^②; 牛俊玲^③; 陆明^①; ①南京理工大学化学与化工学院（江苏南京，210094）
②甘肃银光化学工业集团有限公司（甘肃白银，730900）
③中北大学环境与安全工程学院（山西太原,030051）

Author(s):: ZHAO Li^①; WANG Xiaojun^②; SHANG Fengqin^②; NIU Junling^③; LU Ming^①; ① School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology (Jiangsu Nanjing, 210094)
② Gansu Yinguang Chemical Industry Group Co.Ltd.(Gansu Binyin, 730900)
③ School of Environment and Safety Engineering, North University of China (Shanxi Taiyuan, 030051)

摘要:: 以 4,4’,5,5’-四硝基-2H,2’H-3,3联吡唑（TNBP）为原料，与碱反应生成化合物1，并进一步以化合物1为原料，通过复分解反应合成了该化合物的金属盐化合物2~化合物6。通过红外、核磁共振碳谱和元素分析对化合物进行了结构表征。并通过 X-射线单晶衍射对化合物1的单晶结构进一步表征。利用差示扫描量热法（DSC）研究了化合物1~化合物6的热行为，化合物 1~化合物6的热分解温度在280~336 ℃之间。并通过Kissinger动力学方程求解出TNBP金属盐的热动力学参数。采用 Gaussian 09 程序和 Explo 5评估了化合物1~化合物6的爆轰性能：计算爆速在7 119~8 654 m/s之间；爆压在26.80~39.45 GPa 范围内；爆热在5 262~8 827 J/g之间。利用BAM 感度测试仪进行感度测试：化合物1~化合物6 撞击感度为5~7 J；摩擦感度为40~60 N。

Abstract:: Using 4, 4’, 5, 5’-tetranitro-2H, 2’H-3, 3’-bipyrazole (TNBP) as the starting material, compound 1 was synthesized by reacting with a base. Furthermore, compound 1 was used as the starting material to synthesize metal salt compounds 2-6 of the compound through metathesis reactions. The structures of the compounds were characterized by infrared spectroscopy, carbon spectroscopy of nuclear magnetic resonance, and elemental analysis. Further structural characterization of compound 1 was conducted using single-crystal X-ray diffraction. Thermal behavior of compounds 1-6 was studied using differential scanning calorimetry (DSC). The thermal decomposition temperature of compounds 1-6 ranges from 280 ℃ to 336 ℃. The thermodynamic parameters of TNBP metal salts were determined using Kissinger kinetic equation. The detonation properties of compounds 1-6 were evaluated using Gaussian 09 and Explo 5 programs, with calculated detonation velocities ranging from 7 119 m/s to 8 654 m/s, detonation pressures ranging from 26.8 GPa to 39.45 GPa, and detonation heats ranging from 5 262 J/g to 8 827 J/g. Sensitivity tests performed using a BAM impact sensitivity tester indicated that the impact sensitivities of compounds 1- 6 ranged from 5 J to 7 J, and their friction sensitivities ranged from 40 N to 60 N.