Magnesium Azotetrazole-1,1-dioxide: Synthesis and Promising Properties of Green Insensitive Energetic Materials.

Magnesium azotetrazole-1,1'-dioxide (1) was first prepared and intensively characterized by single-crystal X-ray diffraction, IR spectroscopy, mass spectrometry, elemental analysis, and DSC measurements. The heat of formation was calculated using the atomization energy method based on quantum chemistry and the heat of detonation was also predicted. The NBO analysis was performed for inspecting charge distributions. The sensitivities towards impact and friction were tested using the BAM standard. The high detonation performance (5289 kJ·kg-1), good thermal stabilities (245.5 °C) and excellent insensitivity (39.2 J and >360 N) as well as clean decomposition products supports it of great interest as a promising candidate of green insensitive energetic materials. [ABSTRACT FROM AUTHOR]