New Energetic Metal‐Organic Framework (E‐MOF) based on a sodium(I)‐containing energetic metal salt incorporating guanidinium ions

Abstract

AbstractSince there is an inherent contradiction between high‐detonation properties and reliable safety (or stability) with energetic materials, E‐MOFs provide an entirely new approach to balancing these properties. To explore the effects of the combination of MOFs with energetic materials and to elucidate their structure‐property relationships, we report herein the development of a novel guanidiniume (CH6N3+)‐containing E‐MOF based on the ligand di(2′H‐[1,5′‐bitetrazol]‐5‐yl)amine (C4H3N17), which was crystallized with a central sodium ion. The resulting [(CH6N3+)5(Na(I)‐(C4N173<M−>)2)]n solid featured a density of 1.625 g cm−3 and a decomposition temperature of 221 °C. The crystal structure of the complex featured a three‐dimensional layered structure with a significant number of hydrogen bonds between the layers. Moreover, the introduction of MOFs, provided a potential advantage over the dominant class of energetic materials, by boasting a multi‐dimensional structure with both non‐covalent interactions and covalent (coordination) bonds. As such, the introduction of shorter yet stronger coordination bonds in the E‐MOF led to a higher stability of the energetic material compared to only the weak (distant) intermolecular interactions of common explosives (i. e. hydrogen bonds).