Synthesis, Crystal Structure, and Thermal Behavior of a Novel Insensitive Energetic Cocrystal Composed of 3,3′‐Bis(1,2,4‐oxadiazole)‐5,5′‐dione and 4‐Amino‐1,2,4‐triazole

Abstract

A novel insensitive energetic cocrystal consisting of 3,3′‐bis(1,2,4‐oxadiazole)‐5,5′‐dione and 4‐amino‐1,2,4‐triazole in a 1:2 molar ratio was prepared and characterized. The structure of this cocrystal was characterized by single‐crystal X‐ray diffraction. The crystal structure of the cocrystal is a monoclinic system with P1 space group. Properties of the cocrystal studied included thermal decomposition and detonation performance. This cocrystal has a crystal density of 1.689 g·cm–3 at 173 K and good detonation performance (D = 6940 m·s–1, P = 20.9 GPa). Moreover, measured impact and friction sensitivities (IS > 40 J, FS > 360 N) show that it can be classified as an insensitive energetic material. Its thermodynamic properties indicate that it has moderate thermal stability with a sharp exothermic peak (244 °C, 5 K·min–1) and a high critical temperature of thermal explosion (523 K). In view of the observations above, it may serve as a promising alternative to known explosives such as TNT.

Syntheses, Crystal Structures, and Properties of Two Novel CL‐20‐based Cocrystals

“…Energetic cocrystals are novel explosive materials functionally distinguishable from their pure component material and physical mixture . As a new approach to material modification, cocrystallization is possible to effectively tune the performance characteristics at the molecular level and prepare materials with good comprehensive properties . Now, CL‐20‐based cocrystals are the most actively materials system in the field of energetic cocrystals, owing to its having excellent detonation properties and conformer flexibility .…”