Tri-explosophoric groups driven fused energetic heterocycles featuring superior energetic and safety performances outperforms HMX

Jie Li, Yubing Liu, Wenqi Ma, Teng Fei, Chunlin He () and Siping Pang ()
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Jie Li: Beijing Institute of Technology
Yubing Liu: Beijing Institute of Technology
Wenqi Ma: Beijing Institute of Technology
Teng Fei: Beijing Institute of Technology
Chunlin He: Beijing Institute of Technology
Siping Pang: Beijing Institute of Technology

Nature Communications, 2022, vol. 13, issue 1, 1-7

Abstract: Abstract The design and synthesis of novel energetic compounds with integrated properties of high density, high energy, good thermal stability and sensitivities is particularly challenging due to the inherent contradiction between energy and safety for energetic compounds. In this study, a novel structure of 4-amino-7,8-dinitropyrazolo-[5,1-d] [1,2,3,5]-tetrazine 2-oxide (BITE-101) is designed and synthesized in three steps. With the help of the complementary advantages of different explosophoric groups and diverse weak interactions, BITE-101 is superior to the benchmark explosive HMX in all respects, including higher density of 1.957 g·cm−3, highest decomposition temperature of 295 °C (onset) among CHON-based high explosives to date and superior detonation velocity and pressure (D: 9314 m·s−1, P: 39.3 GPa), impact and friction sensitivities (IS: 18 J, FS: 128 N), thereby showing great potential for practical application as replacement for HMX, the most powerful military explosive in current use.

Date: 2022
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DOI: 10.1038/s41467-022-33413-7

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