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

Author

Listed:
  • Jie Li

    (Beijing Institute of Technology)

  • Yubing Liu

    (Beijing Institute of Technology
    Beijing Institute of Technology
    Yangtze Delta Region Academy of Beijing Institute of Technology)

  • Wenqi Ma

    (Beijing Institute of Technology)

  • Teng Fei

    (Beijing Institute of Technology
    Beijing Institute of Technology)

  • Chunlin He

    (Beijing Institute of Technology
    Beijing Institute of Technology
    Yangtze Delta Region Academy of Beijing Institute of Technology
    Beijing Institute of Technology)

  • Siping Pang

    (Beijing Institute of Technology
    Beijing Institute of Technology)

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.

Suggested Citation

  • Jie Li & Yubing Liu & Wenqi Ma & Teng Fei & Chunlin He & Siping Pang, 2022. "Tri-explosophoric groups driven fused energetic heterocycles featuring superior energetic and safety performances outperforms HMX," Nature Communications, Nature, vol. 13(1), pages 1-7, December.
    • Handle: RePEc:nat:natcom:v:13:y:2022:i:1:d:10.1038_s41467-022-33413-7
    DOI: 10.1038/s41467-022-33413-7
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    References listed on IDEAS

    as
    1. Wenquan Zhang & Jiaheng Zhang & Mucong Deng & Xiujuan Qi & Fude Nie & Qinghua Zhang, 2017. "A promising high-energy-density material," Nature Communications, Nature, vol. 8(1), pages 1-7, December.
    2. Yi Wang & Yuji Liu & Siwei Song & Zhijian Yang & Xiujuan Qi & Kangcai Wang & Yu Liu & Qinghua Zhang & Yong Tian, 2018. "Accelerating the discovery of insensitive high-energy-density materials by a materials genome approach," Nature Communications, Nature, vol. 9(1), pages 1-11, December.
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