Abstract
Potassium 5,5′-azobis(1-nitraminotetrazolate), (K2ABNAT), 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 (617.0kJ/mol) and the room temperature X-ray density (2.11g/cm3), impressive values for the detonation parameters such as detonation velocity (8367m/s) and pressure (31.5GPa) 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.
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