LAUSR

Abstract One-step synthetic route with high yields for tetrazole derivatives with N5 chains as well fused compounds have been explored. Eight compounds were synthesized and well characterized by NMR and IR spectroscopy, elemental analysis, and thermal analysis. Some of them were characterized by X-ray single crystal diffraction analysis. These target compounds possess high nitrogen content (50.9%–76.4%) and heats of formation (3308–6180 kJ kg−1). Compounds 2–9 possess low sensitivities and good energy performances due to their special structure especially for compound 4 (IS = 22 J, D = 9004 m s−1, Isp = 289 s), and thereby demonstrate the potential applications as new energetic materials. Furthermore, the structure-property relationship was demonstrated by experimental results, crystal analysis and theoretical calculations. These results enrich future prospects for the design of energetic materials and commence a new chapter in this field.