Li Huan, Zhou Qi, Hou Tianjiao, Yi Zhenxin, Wang Guixiang, Zhu Long, Gao Yuan, Zhang Yu, Luo Jun
School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology Nanjing 210094 China
College of Chemical Engineering, Nanjing Tech University Nanjing 211816 China.
Chem Sci. 2025 Jul 21. doi: 10.1039/d5sc02800k.
Stereoisomerism in energetic materials remains an underexplored area of research. Herein, two series of energetic stereoisomers, including four diastereomers of 2,4,10-trioxaadamantane-6,8,9-triyl trinitrate and three diastereomers of 9,9-dinitro-2,4,10-trioxaadamantane-6,8-diyl dinitrate, were synthesized based on the systematic alteration of their stereochemistry. The first cage-like energetic materials were generated that incorporate considerations of configurational isomerism. Notably, despite having the same molecular formulas and functional group positions, these stereoisomers exhibited some differences in density, stability, and detonation performance. These results suggest that rationally designed stereochemical editing can serve as an effective strategy for further development of high-performance energetic materials.
含能材料中的立体异构现象仍是一个未被充分探索的研究领域。在此，基于立体化学的系统改变，合成了两个系列的含能立体异构体，包括2,4,10-三氧杂金刚烷-6,8,9-三基三硝酸酯的四种非对映异构体和9,9-二硝基-2,4,10-三氧杂金刚烷-6,8-二基二硝酸酯的三种非对映异构体。生成了首批考虑构型异构的笼状含能材料。值得注意的是，尽管这些立体异构体具有相同的分子式和官能团位置，但它们在密度、稳定性和爆轰性能方面表现出一些差异。这些结果表明，合理设计的立体化学编辑可作为进一步开发高性能含能材料的有效策略。
