Research on the gamma irradiation decomposition products of 2,6-diamino-3,5-dinitropyrazine-1-oxide (LLM-105)

Investigation of γ‐irradiation dependent structural properties of LLM‐105 by ultraviolet‐visible diffuse reflectance spectroscopy

“…Once the irradiation dose increased, the intensity of the S1 peak decreased, while the increase in the S2 and S5 peaks was observed. In the previous work, the dissociation of acyl O generated the radiolysis product ANPZ during the γ-irradiation of LLM-105 [6]. In order to clarify the changes in Figure 10, the central molecule was replaced with ANPZ under the same background charge, and the UV absorption spectrum of ANPZ in the LLM-105 crystal environment was calculated.…”

“…However, the irradiation effects of LLM-105 have been rarely investigated so far. In our published work [6], the main radiolysis product in γirradiated LLM-105, namely 2,6-diamino-3,5-dinitropyrazine (ANPZ), has been macroscopically studied via high-performance liquid chromatography coupled with electrospray mass spectrometry (HPLC-MS) and 1 H nuclear magnetic resonance (NMR). The decomposition mechanism of the product was analyzed in the context of quantum chemistry theory.…”

Stability, electronic properties, and decomposition mechanisms of 2,6-diamino-3,5-dinitropyrazine-1-oxide crystals with different vacancy defects

“…It exhibits superior stability compared to most known explosives when subjected to external stimuli such as shock, friction, and sparks. 14,15 Theoretical studies have indicated that the wave-like π-π stacking mode and hydrogen bonding in the LLM-105 crystal are important factors contributing to its insensitivity under external stimuli. 16,17 Hence, LLM-105 has been widely utilized and extensively studied for its structure and properties.…”