5，5′-二（三 硝 基 甲 基）-2，2′-二 硝 胺 -3，3′-联 -1，2，4-三 唑 的 合 成 及 性 能

A novel dinitramine compound，5，5′-Bis（trinitromethyl）-2，2′-dinitramide-3，3′-bi （1，2，4-triazole）（3），was synthesized via N-amination and subsequent nitration of the starting material 3，3′-bi （1H，1′H-1，2，4-triazole）-5，5′-bis（trinitromethyl）（1）. The structure of compound 3 was confirmed by X-ray single-crystal diffraction（XRD）and further characterized by infrared spectroscopy（IR），elemental analysis（EA），and nuclear magnetic resonance（NMR）spectroscopy. The enthalpy of formation for compound 3 was calculated using the isodesmic reaction method，while its detonation performance was predicted using the EXPLO5 code. Results indicate that compound 3 crystallizes in the monoclinic space group P2₁/n. The crystal density of the dihy-drate（3·2H₂O）is 1.937 g·cm^-3 at 100 K. It exhibits an initial decomposition temperature of 92.6 ℃ and a calculated enthalpy of formation of 680.5 kJ·mol^-1. Furthermore，its predicted detonation velocity and pressure are 8926 m·s^-1 and 34.1 GPa，respectively，with a specific impulse of 257.7 s. Its integrated performance suggests its potential for use as an energetic oxidizer.