立体化学对三维含能材料科学的影响：基于2,4,10-三恶金刚烷主链外周编辑的案例

IF 7.6 1区化学 Q1 CHEMISTRY, MULTIDISCIPLINARY

Chemical Science Pub Date : 2025-07-21 DOI:10.1039/d5sc02800k

Huan Li, Qi Zhou, Yu Zhang, Jun Luo, Tianjiao Hou, Zhenxin Yi, Gui-Xiang Wang, Long Zhu, Yuan Gao

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引用次数: 0

摘要

立体异构现象在含能材料中尚未引起广泛关注。基于立体化学的系统蚀变，合成了2,4,10-三恶金刚烷-6,8,9-三硝酸三酯的4个非对映体和9,9-二硝基-2,4,10-三恶金刚烷-6,8-二硝酸二酯的3个非对映体。这项研究产生了第一个考虑构型异构的笼状高能材料。值得注意的是，尽管具有相同的分子式和官能团位置，但这些立体异构体在密度、稳定性和爆轰性能上存在一定的差异。这些结果表明，合理设计立体化学编辑可以作为进一步开发高性能含能材料的有效策略。

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Impact of Stereochemistry in 3D Energetic Materials Science: A Case Based on Peripheral Editing of 2,4,10-Trioxaadamantane Backbone

Stereoisomerism has not garnered widespread attention in energetic materials. 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, are synthesized based on the systematic alteration of stereochemistry. This study has generated the first cage-like energetic materials that incorporate considerations of configurational isomerism. Notably, despite having the same molecular formulas and functional group positions, these stereoisomers exhibit 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.

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来源期刊

Chemical Science CHEMISTRY, MULTIDISCIPLINARY-

CiteScore

14.40

自引率

4.80%

发文量

1352

审稿时长

2.1 months

期刊介绍： Chemical Science is a journal that encompasses various disciplines within the chemical sciences. Its scope includes publishing ground-breaking research with significant implications for its respective field, as well as appealing to a wider audience in related areas. To be considered for publication, articles must showcase innovative and original advances in their field of study and be presented in a manner that is understandable to scientists from diverse backgrounds. However, the journal generally does not publish highly specialized research.