三唑与恶二唑组合盐对能量与安全性平衡的影响

Salt Formation of the Alliance of Triazole and Oxadiazole Towards Balanced Energy and Safety.

作者信息

Liu Yang, Wang Meiqi, Men Jiawei, Li Bibo, Feng Shangbiao, Zhu Shuangfei, Liu Guangrui, Gou Ruijun, Zhang Shuhai, Lu Ming, Yang Li

机构信息

School of Environmental and Safety Engineering, North University of China, Taiyuan 030051, China.

School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.

出版信息

Materials (Basel). 2025 Jul 22;18(15):3435. doi: 10.3390/ma18153435.

DOI:10.3390/ma18153435

PMID:40805312

原文链接:https://pmc.ncbi.nlm.nih.gov/articles/PMC12347762/

Abstract

Balancing the energy and stability of energetic materials is a challenging task in their development. Salt formation is a promising strategy for seeking high-energy, low-sensitivity materials. In this study, the modification of anions facilitates the enhancement of density and oxygen balance in amino-functionalized N-heterocycle systems. The results of single-crystal X-ray diffraction and theoretical analysis suggest that DATOP possesses intense hydrogen bonding networks in its crystal structure. The ideal structure of DATOP ( = 1.954 g·cm, = 8624 m·s, = 34.4 GPa) gives rise to higher detonation properties compared to DATOC ( = 1.717 g·cm, = 5984 m·s, = 12.4 GPa). In particular, the thermal stability of DATOP ( = 273 °C) is superior to DATOC ( = 154 °C). DATOP also maintains comparable mechanical sensitivities to DATOC. These fascinating results reveal that the strategy of salt formation shows excellent potential for balancing energy and stability in energetic materials.

摘要

在含能材料的研发过程中，平衡其能量与稳定性是一项具有挑战性的任务。盐形成是寻找高能、低感度材料的一种很有前景的策略。在本研究中，阴离子的修饰有助于提高氨基官能化氮杂环体系的密度和氧平衡。单晶X射线衍射和理论分析结果表明，DATOP在其晶体结构中具有密集的氢键网络。与DATOC（密度 = 1.717 g·cm³，爆速 = 5984 m·s，爆压 = 12.4 GPa）相比，DATOP的理想结构（密度 = 1.954 g·cm³，爆速 = 8624 m·s，爆压 = 34.4 GPa）具有更高的爆轰性能。特别是，DATOP的热稳定性（分解温度 = 273 °C）优于DATOC（分解温度 = 154 °C）。DATOP的机械感度也与DATOC相当。这些引人注目的结果表明，盐形成策略在平衡含能材料的能量和稳定性方面具有巨大潜力。