Azide- and Trinitromethyl-Functionalized Bitriazoles: Environmentally Friendly High-Nitrogen Energetic Materials with...

Area of Science:

• Energetic materials research
• Organic synthesis
• Computational chemistry

Background:

• Development of high-performance energetic materials is crucial for advanced applications.
• Nitrogen-rich heterocyclic compounds offer potential for high energy density and performance.
• Zero-oxygen balance materials are desirable for enhanced safety and performance.

Purpose of the Study:

• To synthesize and characterize two new energetic materials with zero-oxygen balance: 1,2-bis(5-azido-1-(trinitromethyl)-1H-1,2,4-triazol-3-yl)diazene (DNAzaBT) and 5,5'-diazido-1,2'-bis(trinitromethyl)-1H,2'H-3,3'-bi(1,2,4-triazole) (DNAzBT).
• To evaluate the detonation performance and specific impulse of the synthesized compounds.
• To explore the potential applications of these novel energetic materials.

Main Methods:

• Multi-step organic synthesis for the preparation of DNAzaBT and DNAzBT.
• Experimental characterization of detonation properties (detonation velocity D, detonation pressure P).
• Computational calculations to determine specific impulse (Isp).

Main Results:

• Successful synthesis of DNAzaBT and DNAzBT, both featuring a zero-oxygen balance.
• DNAzaBT demonstrated a detonation velocity of 9495 m s⁻¹ and a detonation pressure of 39.2 GPa.
• DNAzBT exhibited a detonation velocity of 9238 m s⁻¹ and a detonation pressure of 37.5 GPa.
• High calculated specific impulse values of 272 s for DNAzaBT and 269 s for DNAzBT were achieved.

Conclusions:

• The synthesized compounds, DNAzaBT and DNAzBT, represent promising new energetic materials.
• Their excellent detonation performance and high specific impulse values indicate suitability for demanding applications.
• These materials hold potential for use in high-energy detonation charges and precision pyrotechnic initiators.