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Novel energetic bistetrazole-N-oxides - synthesis and characterization

Investigations on the density and performance increment of tetrazole-N-oxides exemplified by bistetrazole-N-hydroxides and bistetrazole-N-oxides are reported. For this purpose novel bistetrazole derivatives such as 5-tetrazolyl-(1-hydroxytetrazole) and 5-tetrazolyl-(2-hydroxytetrazole) as well as their nitrogen-rich ionic derivatives (e.g. hydroxylammonium, hydrazinium) were synthesized and characterized using low temperature single crystal Xray diffraction. All compounds were investigated by NMR and vibrational (IR, Raman) spectroscopy, mass spectrometry elemental analysis and DSC or DTA. The sensitivities towards impact, friction, and electrical discharge, were investigated using BAM standards and a small scale electrostatic discharge tester. The detonation parameters were calculated using the EXPLO5.06 code. Heats of formation were computed by the atomization method based on CBS-4M electronic enthalpies. The density, performance, thermal stability and sensitivity of the newly synthesized compounds were compared to known compounds such as 5, 5’-bistetrazole, 5, 5’-bis(1-hydroxytetrazole) and 5, 5’-bis(2-hydroxytetrazole) as well as the energetic salts thereof.

tetrazoles; N-oxides; crystal structures; nitrogen-rich

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