Abstract
Two new energetic salts were prepared through the combination of 3,6-dihydrazinyl-1,2,4,5-tetrazine dichloride ([H2DHT]Cl2) and disodium 5,5′-azobis(tetrazolate) pentahydrate (Na2AZT·5H2O) in different pH conditions. Under acidic conditions, the 1:1 salt [H2DHT][AZT]·2H2O (2·2H2O) was isolated, while neutral pH gave access to the formation of the 2:1 salt ([HDHT]2[AZT]·4H2O; 3·4H2O). Both compounds were characterized by IR and NMR spectroscopy, thermal analysis (thermogravimetric analysis and differential scanning calorimetry), as well as single crystal and powder X-ray diffraction. Based on experimental data, compound 2·2H2O was found to be more thermally stable, with a decomposition temperature of Tdec = 107 °C, compared to compound 3·4H2O (Tdec = 99 °C). Non-covalent interactions (hydrogen bonds and π–π interactions) were evaluated to better understand the structure–property relationships, revealing the effect of crystal packing on the overall energetic properties.
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