Structural, vibrational and electronic properties of nitrogen-rich 2,4,6-triazide-1,3,5-triazine under high pressure

Discriminative Mechanical and Thermal Response of the H–N Bonds for the Energetic LLM-105 Molecular Assembly

“…M olecular stabilization and energy storage determine the impact of radiation at explosion and the sensitivity to activation of energetic materials (EMs). 1,2 Optimizing both the impact power density and stability of an EM remains a great challenge. 3 Therefore, it is critical to understand how the molecules interact and how the EM stores excessive energy at the molecular level.…”

“…Molecular stabilization and energy storage determine the impact of radiation at explosion and the sensitivity to activation of energetic materials (EMs). , Optimizing both the impact power density and stability of an EM remains a great challenge . Therefore, it is critical to understand how the molecules interact and how the EM stores excessive energy at the molecular level. − LLM-105 (C 4 H 4 N 6 O 5 ), − or 2,6-diamino-3,5-dinitropyrazine-1-oxide, is a typical platform for EM study because of its excellent performance compared with other explosives such as HMX (C 4 H 8 N 8 O 8 ) and TATB (C 6 H 6 N 6 O 6 ) in terms of energy density; thermal stability; and sensitivity to shock, spark, and friction. ,, …”