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Potassium 5,5’-azobis(1-nitraminotetrazolate),(K_2ABNAT), a new green primary explosive, was synthesized via a safe and convenient synthetic procedure based on methylcarbazate and cyanogen azide. The compound was characterized by single-crystal X-ray diffraction, IR spectroscopy, Raman spectroscopy, multinuclear NMR spectroscopy, elemental analysis, and differential scanning calorimetry(DSC). With the calculated(CBS-4M) heat of formation(617.0 kJ/mol) and the room temperature X-ray density(2.11 g/cm~3), impressive values for the detonation parameters such as detonation velocity(8367 m/s) and pressure(31.5 GPa) were computed using the EXPLO5 program. The superior calculated energetic performance show it could serve as a green replacement for the widely used primary explosive,lead(II) azide, which contains toxic ingredient.
Potassium 5,5’-azobis (1-nitraminotetrazolate), (K_2ABNAT), a new green primary explosive, was synthesized via a safe and convenient synthetic procedure based on methylcarbazate and cyanogen azide. The compound was characterized by single-crystal X-ray diffraction, IR spectroscopy, Raman spectroscopy, multinuclear NMR spectroscopy, elemental analysis, and differential scanning calorimetry (DSC). With the calculated temperature of 617.0 kJ / mol and the room temperature X- impressive values for the detonation parameters such as detonation velocity (8367 m / s) and pressure (31.5 GPa) were computed using the EXPLO5 program. The superior calculated energetic performance show it could serve as a green replacement for the widely used primary explosive, lead (II) azide, which contains toxic ingredient.