Abstract
In this study, a new series of 3-amino-4-(5-amino-1,3,4-oxadiazole-yl) furoxan derivatives including neutral compounds and energetic salts were synthesized. Their physicochemical properties such as sensitivity, thermal behavior, and energetic properties were investigated during the study. Additionally, to explain their structure-property relationship, quantum chemical calculations were conducted, including Hirshfeld surface analysis, noncovalent interaction analysis, and electrostatic potential surface analysis. The crystal structures of compounds 2, 3a, and 3b were confirmed by using single-crystal X-ray diffraction. All of these new compounds showed satisfactory detonation performance, with detonation velocities ranging from 8430 m s−1 to 9258 m s−1 and detonation pressures of 30.1–37.5 GPa. These results were comparable to those of the commonly used secondary explosive RDX (8795 m s−1 and 34.9 GPa, respectively), making these new compounds potential secondary explosives.
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