A Stabilized Polynitro-Substituted Energetic Compound Enabled by Enhanced Conjugation in a
1School of Chemistry and Chemical Engineering, Nanjing University of Science and Technology, Nanjing 210094, China.
Abstract:
Energetic materials featuring 1,2,3-triazole frameworks have attracted increasing attention in the development of high-energy-density materials (HEDMs) due to their high nitrogen content and tunable energetic properties. Herein, we report the synthesis and characterization of a neutral energetic compound, 4,5-bis(5-(trinitromethyl)-4H-1,2,4-triazol-3-yl)-2H-1,2,3-triazole (5), in which two trinitromethyl groups are bridged via a tricyclic (1,2,4-/1,2,3-/1,2,4-triazole) system. The molecule is stabilized by enhanced π-conjugation across the tricyclic rings. Compound 5 exhibits a high density (ρ = 1.86 g cm-3), positive oxygen balance (OB = +7.9%), excellent detonation performance (D = 9149 m s-1; P = 37.5 GPa), and low impact sensitivity (IS = 10 J), outperforming the benchmark explosive HMX.
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