Journal of Fluorine Chemistry ( IF 1.7 ) Pub Date : 2021-05-05 , DOI: 10.1016/j.jfluchem.2021.109801 Kannan Gajendran Balachandar , Arumugam Thangamani
Azoles such as tetrazole, triazole, pyrazole, and imidazole are considered to be core nitrogen rich structures. 2,6-Dinitro-4-(trifluoromethyl)phenol was treated with imidazole, 3-nitropyrazole, 1,2,4-triazole, 3-amino-1,2,4-triazole, 3,5-diamino-1,2,4-triazole, 5-aminotetrazole, and 5-nitrotriazolone to synthesize acid-base salts using a proton transfer mechanism. The spectroscopic characterization of the synthesized compounds 1–7 was carried out by IR, 1H NMR, 13C NMR, and 19F NMR spectroscopies. Single crystal X-ray diffraction studies of compounds 1 and 3 showed that they possess densities of 1.675 and 1.670 g/cm3, respectively. The detonation properties of all the synthesized compounds were studied using computational software such as the LOTUSES, EXPLO 5, and EXTEC codes. The blast peak over pressure and blast impulse were determined for each compound. The thermal behaviour of the synthesized compounds was analyzed using TGA/DSC thermogram, and each compound was found to exhibit acceptable thermal stability. The performance of the synthesized compounds were found to be high and fit into the category of high-energy-density materials (HEDMs).
中文翻译:
含氟的2,6-二硝基-4-(三氟甲基)苯酚衍生物与取代的唑类的新型高性能含能材料
诸如四唑,三唑,吡唑和咪唑的唑被认为是核心富氮结构。用咪唑,3-硝基吡唑,1,2,4-三唑,3-氨基-1,2,4-三唑,3,5-二氨基-1,2处理2,6-二硝基-4-(三氟甲基)苯酚,4-三唑,5-氨基四唑和5-硝基三唑酮利用质子转移机理合成酸碱盐。通过IR,1 H NMR,13 C NMR和19 F NMR光谱对合成的化合物1–7进行光谱表征。化合物1和3的单晶X射线衍射研究表明,它们的密度分别为1.675和1.670 g / cm 3, 分别。使用计算软件(例如LOTUSES,EXPLO 5和EXTEC代码)研究了所有合成化合物的爆炸特性。确定每种化合物的爆炸峰值压力和冲击脉冲。使用TGA / DSC热分析图分析了合成化合物的热行为,发现每种化合物都表现出可接受的热稳定性。发现合成的化合物的性能高并且适合于高能量密度材料(HEDM)的类别。