Synthesis of 3,5-ditetrazolyl-1,2,4-triazole-based complexes: A strategy for developing C-N-linked triheterocyclic energetic compounds

A novel C-N-linked triheterocyclic compound, 3,5-ditetrazolyl-1,2,4-triazole (DTT), was synthesized via a facile strategy from 3,5-diamino-1,2,4-triazole. Two metal complexes based on the DTT ligand were prepared and fully characterized using elemental analysis, IR spectroscopy, mass spectrometry, and single-crystal X-ray diffraction. Their properties, including density, heat of formation, thermal stability and sensitivity, as well as detonation performance determined using the EXPLO5 program package, were investigated. NaDTT and KDTT showed high positive heats of formation, low sensitivities and good detonation performances. The approach presented here could contribute to the development of C-N-linked polyheterocyclic compounds as new energetic materials.