Achieving Good Molecular Stability in Nitrogen-rich Salts Based on Polyamino Substituted Furazan-triazole
Yang Liu, Yuangang Xu, Feng Yang, Zhen Dong, Qi Sun, Lujia Ding, Ming Lu
Abstract
Furazan has rarely been used as a building block in the development of energetic cations. In this study, polyamino-substituted furazan-triazole was explored as an energetic cation for the synthesis of energetic salts 3–6. All new compounds were characterized by infrared and NMR spectroscopy, elemental analysis, and single crystal X-ray diffraction. The experimental results revealed that these salts have good thermal stabilities; the decomposition temperatures of these salts, except nitroformate 6, were over 200 °C. These salts (IS: 16–40 J; FS: 200–360 N) are more insensitive than RDX. The noncovalent interaction (NCI) and Hirshfeld surface analyses were performanced to comprehensively study their structure–property relationships. The good molecular stabilities of these salts can arise from (a) abundant π–π interactions on account of the planar furazan-triazole backbone and (b) an extensive hydrogen bonding network resulting from large amounts of amino groups. Simultaneously, all the salts exhibit promising detonation performances (D: 8049–8836 m s–1; P: 26.9–34.8 GPa), which were much higher than both those of TNT, and salt 6 was even comparable to RDX.