Search

Heat‐resistant explosives play a vital role in indispensable applications. For this, we have synthesized a novel, three‐dimensional, solvent‐free energetic metal−organic framework (EMOF) potassium 3,5‐dinitro‐6‐oxo‐1,6‐dihydropyrazin‐2‐olate (KDNODP) straightforwardly. The synthesized EMOF was characterized through IR, NMR spectroscopy, elemental analysis, and differential scanning calorimetry studies. Furthermore, single‐crystal X‐ray diffraction provided a complete description of KDNODP. It exhibits a three‐dimensional EMOF structure with remarkably balanced properties such as high density (2.11 g cm−3), excellent thermal stability (291 °C), good detonation performance (8127 m s−1 and 26.94 GPa) and low mechanical sensitivity (IS=35 J; FS=360 N) than the commonly used heat‐resistant explosives HNS (density=1.74 g cm−3; VOD=7164 m s−1, DP=21.65 GPa, IS=5 J) as well as the similar reported energetic potassium MOFs. To gain insights into the packing and intermolecular interactions, the Hirshfeld surface and a 2D fingerprint analysis were examined. Additionally, scanning electron microscopy was used to investigate the particle size and morphological characteristics of KDNODP. These outcomes highlight a successful method for creating 3D EMOF based on a six‐membered heterocycle as a potential heat‐resistant energetic material. [ABSTRACT FROM AUTHOR]

A series of dense and energetic polynitroaryl-1,2,4-triazoles were synthesized through the nitration of aryl-1,2,4-triazoles. The Cu-catalyzed/base-mediated coupling reactions of haloarenes with 1,2,4-triazoles delivered N-aryl-1,2,4-triazoles. These new nitro-rich-aryltriazoles were characterized by analytical and spectroscopic methods. The solid-state structures of most of these compounds were established by X-ray diffraction analysis. Their thermal properties were determined by differential scanning calorimetry-thermogravimetric analysis. Their heats of formation (HOFs) and crystal densities were also calculated. The densities of the synthesized compounds ranged from 1.40 to 1.85 g cm−3. Some of these newly synthesized compounds exhibited high positive HOFs, good thermal stabilities, high densities, and reasonable detonation velocities and pressures. [ABSTRACT FROM AUTHOR]