Insensitive energetic compounds: alkaline earth metal salts of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazolate

Abstract

Three novel alkaline earth metal salts (Mg²⁺(1), Ca²⁺(2), and Sr²⁺(3)) of 5,5′-dinitramino-3,3′-methylene-1H-1,2,4-bistriazolate (DNAMT) have been synthesized in a simple and straightforward manner. The crystal structures of 1–3 were confirmed by single-crystal X-ray diffraction, revealing that the coordination numbers surrounding the metal centers are bigger and the coordination environments become more complicated with the increase in the radius of metal atoms. All the salts exhibit excellent thermal stabilities in the order 1 (269.8 °C) < 2 (283.4 °C) < 3 (313.0 °C).The predicted detonation velocity (D) and detonation pressure (P) by EXPLO5 are nearly equal to or higher than TNT. Meanwhile, the synthesized salts show remarkable insensitivities towards mechanical impact and friction (IS > 40 J and FS > 360 N). Considering the eco-friendliness of alkaline earth metals, the results suggest them as potential component candidates for energetic materials.