A novel energetic cocrystal predicted to exhibit greater power and lower sensitivity, consisting of 1,3,5‐triamino‐2,4,6‐trinitrobenzene (TATB) and cyclotetramethylenetetranitramine (HMX) is presented. The TATB/HMX cocrystals were prepared using a compound solvent of [Emim]Ac and DMSO at 80 °C by recrystallization. Structural characterizations and thermal properties of the raw materials and cocrystals were systematically investigated by scanning electron microscopy (SEM), X‐ray diffraction, fourier‐transform infrared spectroscopy, fourier transform raman spectroscopy and differential scanning calorimetry. The SEM results indicated that microparticles are hexagonal in shape and ∼2 μm in size. The formation of cocrystals originates from the N−H⋅⋅⋅O hydrogen bonding between ‐NO2 (HMX) and ‐NH2 (TATB). Naturally, compared to raw HMX, the impact sensitivity of the cocrystals is reduced. The EXPLO5 program showed TATB/HMX with desirable detonation performance.
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