Strategic integration of 1,2,4-oxadiazole and nitramino-triazole frameworks for high-energy-density materials

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Developing high-energy-density materials (HEDMs) with balanced energy and safety performance remains a significant challenge in energetic materials. This study presents the synthesis and systematic characterization of two novel high-performance energetic compounds: 5,5'-(1,2,4-oxadiazole-3,5-diyl)bis(1,2,4-triazol-3-nitramino) ( 3 ) and 3,5-bis(5-nitro-4H-1,2,4-triazol-3-yl)-1,2,4-oxadiazole ( 4 ). Compound 3 , featuring a 1,2,4-oxadiazole core flanked by two 1,2,4-triazole rings, with nitroamino groups serving as the functional moieties., demonstrates outstanding detonation performance ( D = 8,938 m·s -1 , P = 34.8 GPa), high density ( ρ =1.90 g·cm -3 ) and moderate sensitivity ( IS = 14 J, FS = 144 N). In contrast, compound 4 exhibits superior thermal stability ( T d = 225 °C) while maintaining comparable detonation properties ( D = 8,795 m·s -1 ). Furthermore, among three energetic salts ( 5 - 7 ) derived from compound 3 , compound 7 achieves a remarkable detonation velocity of 9,106 m·s -1 while retaining moderate sensitivity ( IS = 16 J). This work establishes a new synthetic approach for developing next-generation HEDMs through the strategic integration of 1,2,4-oxadiazole with nitramino-triazole structures, successfully balancing high energy output with safety requirements.

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