Dimethoxycarbonyl Groups Surrounding a Symmetric Diaminobistetrazole Ring: Exploring New Green Energetic Materials

A novel oxygen-containing dimethoxycarbonyl diaminobistetrazole (1) was synthesized via a facile strategy. The sodium salt (2) based on this ligand was prepared and these two compounds were fully characterized by using elemental analysis, IR and mass spectrometry and single-crystal X-ray diffraction. Their density, heats of formation, thermal stability and sensitivity, as well as the energetic properties from EXPLO5 code were investigated. These newly synthesized compounds possess high positive heats of formation and detonation heats. Compound 1 exhibits good detonation performance and acceptable stability, and might be a potential eco-friendly alternative of lead azide. The present study contributes to the development of tetrazole derivatives as new energetic materials.