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A C-N Coupling-Based Molecular Assembly Strategy for Synergistically Enhancing Energy and Safety in Energetic
Ruyi Lu1, Shuaijie Jiang1, Ming Lu1
1School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing210094, China.
None:
The pursuit of energetic materials (EMs) that concurrently deliver high energy density and low sensitivity is a longstanding goal. This study presents an efficient modular assembly strategy based on C-N coupling to address this challenge. Using 5-amino-3-nitro-1,2,4-triazole (ANTA) as a key building block, its coupling with various chloroazaarenes afforded three novel tricyclic EMs (LSH-1, LSH-2, LSH-3). Impressively, all compounds showcase a superior combination of properties: high thermal stability (Td up to 350 °C), outstanding detonation performance (Dv: 8329-8897 m·s-1), and notably low mechanical sensitivity (IS > 30 J, FS > 360 N). The structure-property relationships, further rationalized by quantum chemical calculations, highlight how extended conjugation and hydrogen-bonding networks contribute to these balanced characteristics. Our findings underscore the C-N coupling strategy as a powerful and promising approach for designing advanced EMs with an optimal energy-safety profile.
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