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

Area of Science:

• Materials Science
• Chemistry
• Energetic Materials

Background:

• Metal-organic frameworks (MOFs) are crystalline materials with tunable properties.
• High-energy metal-organic frameworks (HE-MOFs) are a class of MOFs designed for energetic applications.
• Nitrogen-rich compounds are often explored for their energetic potential.

Purpose of the Study:

• To synthesize and characterize a novel nonporous, three-dimensional HE-MOF.
• To evaluate the thermal stability and detonation properties of the new compound.
• To compare its performance with existing explosives and HE-MOFs.

Main Methods:

• Hydrothermal synthesis with in situ ligand formation under controlled pH.
• Characterization using single-crystal X-ray diffraction, elemental analysis, and Fourier transform infrared spectroscopy.
• Detonation properties measured via detonation temperature, heat of detonation, velocity, and pressure; thermal analysis using differential scanning calorimetry.

Main Results:

• Successful synthesis and structural elucidation of [Zn(C6H4N5)N3], a nonporous 3D HE-MOF.
• Measured detonation temperature (345 °C) and heat of detonation (-0.380 kcal/g) comparable to commercial explosives.
• Detonation velocity (5.96 km/s) and pressure (9.56 GPa) indicate significant energetic performance.
• Differential scanning calorimetry revealed a complex, temperature-dependent detonation mechanism.

Conclusions:

• [Zn(C6H4N5)N3] is a promising new HE-MOF with excellent thermal stability and energetic performance.
• Its properties make it a potential candidate for advanced energetic material applications.
• The complex detonation mechanism warrants further investigation.