The new energetic material bis(1-oxidotetrazol-5-yl)triazene and its corresponding C_2N_(11)O_2~(3-) triple anion

摘要

The structure of secondary explosives is mostly based on one of three motives: nitrated carbon frameworks (e.g. TNT), increased nitrogen content (e.g. RDX/HMX, TKX-50) or large cage- or ring-strain (e.g. CL-20). While the introduction of strains generally involves extensive laborious syntheses, the introduction of N-N single and double bonds can easily be realized, especially by azole chemistry. This work focuses on new energetic N-oxidized tetrazoles with a high nitrogen content. The well-known 1-hydroxy-5-aminotetrazole (5-ATO) was used as precursor to connect two I -hydroxy tetrazole units via a triazene linker in bis(l-oxidotetrazol-5-yl)triazene. The neutral compound as well as several salts were extensively characterized by low temperature single crystal diffraction experiments supplemented by NMR, EA, DTA and 1R. The energetic performance parameters of all compounds were calculated using the EXPL05 V6.05.02 program package. The calculated detonation properties show a strong correlation between the weight of the cation and the detonation velocity.