Azide-Based High-Energy Metal–Organic Frameworks with Enhanced Thermal Stability

Abstract

We describe the structure and properties of [Zn(C₆H₄N₅)N₃] <i>_n</i> , a new nonporous three-dimensional high-energy metal-organic framework (HE-MOF) with enhanced thermal stability. The compound is synthesized by the hydrothermal method with in situ ligand formation under controlled pH and characterized using single-crystal X-ray diffraction, elemental analysis, and Fourier transform infrared. The measured detonation temperature (<i>T</i> _det = 345 °C) and heat of detonation (Δ<i>H</i> _det = -0.380 kcal/g) compare well with commercial explosives and other nitrogen-rich HE-MOFs. The velocity and pressure of denotation are 5.96 km/s and 9.56 GPa, respectively. Differential scanning calorimetry analysis shows that the denotation of [Zn(C₆H₄N₅)N₃] <i>_n</i> occurs via a complex temperature-dependent mechanism.