In our continuing search for energetic materials which are promising candidates for RDX (1, 3, 5 - trinitro - 1, 3, 5 - triazacyclohexane) replacement, derivatives of 4, 4’-bi(5-nitro-1, 2, 3- 2H -triazole) were designed, synthesized and characterized by using a variety of functionalization strategies. The isomers of the methylation and N-amination were separated; their structures were confirmed on the basis of single-crystal X-ray analysis. The properties of all the new compounds were determined via DSC (differential scanning calorimetry), density, impact sensitivity, heat of formation, and detonation velocity and pressure (calculated by EXPLO5 V6.01). Interestingly, isomers with substituents at the 1-position of the 4, 4’-bi(5-nitro-1, 2, 3- 2H -triazoles) were found to exhibit a slightly higher detonation performance than the isomers with substituents at other positions. These materials were found to possess superior detonation properties when compared with the other known fully carbon-nitrated bis-azoles which makes them competitive candidates as future energetics.

Prospective energetic materials derived from 4, 4’-bi(5-nitro-1, 2, 3-2H-triazole)

249th National Meeting (2015)

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