Two Energetic Framework Materials Based on DNM-TNBI as Host Molecule: Effectively Coordinated by Different Cations.

Area of Science:

• Energetic Materials Science
• Materials Chemistry
• Crystallography

Background:

• 1-(dinitromethyl)-4,4',5,5'-tetranitro-1H,1'H-2,2'-biimidazole (DNM-TNBI) shows high performance but limited thermal stability (Td: 142°C).
• Developing energetic materials with improved thermal stability is crucial for practical applications.
• Open-framework materials offer potential for enhanced properties through tailored structures.

Purpose of the Study:

• To synthesize novel energetic open-framework materials using DNM-TNBI as a host molecule.
• To investigate the supramolecular structures and properties of these new materials.
• To enhance the thermal stability and detonation performance compared to the parent compound.

Main Methods:

• Synthesis of two new energetic open-framework materials by coordinating DNM-TNBI with ammonium (NH4+) and potassium (K+) cations.
• Structural characterization using crystallographic methods to determine supramolecular arrangements.
• Evaluation of thermal stability (Td) and detonation performance (D, P).

Main Results:

• Two new energetic materials were successfully synthesized: [DNM-TNBI²⁻][2NH₄⁺] (an energetic hydrogen-bonded ammonium framework, EHAF) and [DNM-TNBI²⁻][2K⁺] (an energetic metal-organic framework, EMOF).
• Both synthesized materials exhibit higher thermal stability than DNM-TNBI.
• Satisfactory detonation performance was achieved for both materials: [DNM-TNBI²⁻][2NH₄⁺] (D: 8050 m/s, P: 26.4 GPa) and [DNM-TNBI²⁻][2K⁺] (D: 8301 m/s, P: 30.8 GPa).

Conclusions:

• DNM-TNBI can be effectively used as a building block for energetic open-framework materials.
• The synthesized EHAF and EMOF demonstrate improved thermal stability and retained high detonation performance.
• These findings present promising new energetic materials with enhanced safety and performance characteristics.