Nitrogen-Rich Tetranuclear Metal Complex as a New Structural Motif for Energetic Materials

High Resolution Image Download MS PowerPoint Slide For designing energetic materials (EMs), the most challenging issue is to achieve a balance between energetic performance and reliable stability. In this work, we employed an efficient and convenient method to synthesize a new class of EMs: nitrogen-rich tetranuclear metal complexes [M(Hdtim)(H 2 O) 2 ] 4 (M = Zn 1, Mn 2; H 3 dtim = 1 H -imidazol-4,5-tetrazole) with the N content of >46%. The structural analyses illustrate that isomorphous compounds 1 and 2 feature isolated hollow ellipsoid tetranuclear units, which are linked by both π–π interactions and hydrogen-bonding interactions to give a 3D supramolecular architecture. Compounds 1 and 2 exhibit prominent energetic characteristics: excellent detonation performances and reliable thermal, impact, and friction stabilities. Being nitrogen-rich tetrazolate compounds, the enthalpies of combustion of 1 (−11.570 kJ g –1 ) and 2 (−12.186 kJ g –1 ) are higher than those of classical EMs, RDX and HMX, and they possess high positive heats of formation. Sensitivity tests demonstrate that 1 and 2 are insensitive to external mechanical action. Excellent energetic performances and low sensitivities promote 1 and 2 to serve as a new class of promising EMs with a desirable level of safety.