Journal of Molecular Structure ( IF 3.8 ) Pub Date : 2022-04-15 , DOI: 10.1016/j.molstruc.2022.133099 Chun-Mei Xu 1 , Shuang-Long Wang 1 , Wen-Li Yuan 1 , Lei Zhang 1 , Hangyu Liu 2 , Guo-Hong Tao 1 , Ling He 1
The energetic derivatives of nitrogen-rich 3,4,5-triamino-1-tetrazolyl-1,2,4-triazolium (TATT) cation combined with nitrate (1), chloride (2) and perchlorate (3) anions were synthesized from the reaction of 3,4,5-triamino-1-tetrazolyl-1,2,4-triazole with various acids. All salts were characterized by IR, NMR and elemental analysis. Their structures were verified by single-crystal X-ray diffraction. Salt 1 crystallizes in the monoclinic system P21/c. Salt 2 and 3 crystallize in the triclinic system P-1. Both theoretical and experimental methods demonstrate these compounds having positive heats of formation. Their sensitivities to impact and friction were also determined.
中文翻译:
不溶性 3,4,5-triamino-1-tetrazolyl-1,2,4-triazole (TATT) 的高能材料衍生物
富氮 3,4,5-triamino-1-tetrazolyl-1,2,4-triazolium (TATT) 阳离子与硝酸根 ( 1 )、氯离子 ( 2 ) 和高氯酸根 ( 3 ) 阴离子结合合成的高能衍生物3,4,5-三氨基-1-四唑基-1,2,4-三唑与各种酸的反应。所有盐均通过 IR、NMR 和元素分析进行了表征。通过单晶 X 射线衍射验证了它们的结构。盐1在单斜晶系 P21/c 中结晶。盐2和3在三斜晶系 P-1 中结晶。理论和实验方法都证明这些化合物具有正形成热。还确定了它们对冲击和摩擦的敏感性。