Energetic Derivatives Substituted with Trinitrophenyl: Improving the Sensitivity of Explosives

Enhancing the heat of detonation of energetic compounds can be effectively achieved by achieving zero oxygen balance in their molecular formula and incorporating high enthalpy of formation backbones. These approaches are highly effective in boosting the explosive properties of such compounds. Consequently, 3,4-bis(5-(trinitromethyl)-1,2,4-oxadiazol-3-yl)-1,2,5-oxadiazole 2-oxide (4) was synthesized, which combines three oxadiazole rings and two nitroform groups. A series of energetic salts (3, 5-7) corresponding to the dinitromethyl derivative of 4 were also studied. The structures of compounds 3 and 4 were determined through single crystal diffraction analysis. Notably, compound 3 exhibits pores situated between its molecules and is categorized as a hydrogen-bonding organic framework (HOF). This characteristic imparts compound 3 with a lower mechanical sensitivity, indicated by its impact and friction sensitivity (IS=25 J, FS＞360). Compound 4 (Qv, 6949 kJ kg-1) boasts a remarkably high heat of detonation, surpassing that of CL-20 (Q: 6534 kJ kg-1), which offers a promising avenue for the synthesis of high-energy compounds with elevated heat of detonation.