Wenli Cao, Wen-shuai Dong, Zu-jia Lu
Jul 29, 2021
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0
Influential Citations
15
Citations
Journal
Chemistry
Abstract
The combination of different nitrogen-rich heterocycles into a molecule can fine-tune its energetic performance and physical properties as well as its safety for use in energetic materials. Herein, 1,2,4-oxadiazole was incorporated into 1,2,4-triazole to construct new energetic backbones. 3-(5-amino-1 H -1,2,4-triazol-3-yl)-1,2,4-oxadiazol-5-amine ( 5 ) was designed and synthesized. Nitramino-functionalized N-(5-(5-amino-1,2,4-oxadiazol-3-yl)-3 H -1,2,4-triazol-3-yl)nitramide ( 6 ) and N-(5-(5-(nitramino)-1,2,4-oxadiazol-3-yl)-3 H -1,2,4-triazol-3-yl)nitramide ( 7 ) were obtained and two series of corresponding nitrogen-rich salts were prepared, leading to the creation of new energetic compounds. All derivatives were fully characterized and five of them were further confirmed via X-ray diffraction. The theoretical calculations, energetic performance, safety, and the main decomposition gaseous products of 1,2,4-triazole-1,2,4-oxadiazole-derived energetic materials were studied. Compound 7 and its dihydroxylammonium salt ( 7c ) exhibited prominent detonation performance comparable to RDX while possessing satisfying thermal stabilities and mechanical sensitivities.