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

Abstract

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.