Hydrates of 5‐Amino‐1<i>H</i>‐tetrazolium Halogenide Salts – Starting Materials for the Synthesis of Energetic Compounds

Abstract

Abstract 5‐Amino‐1 H ‐tetrazolium halogenide salts (Cl, Br, I) can be used to synthesize energetic materials by metathesis reactions. Hydrate halide salts of 5‐amino‐1 H ‐tetrazole ( 5‐AtHX , X = Cl, Br, I) were synthesized and characterized by crystal structure determination. A detailed description of their structure is given in this manuscript and the bonding parameters are compared to the calculated values (MP2 and B3LYP). In addition, the compounds were characterized by using elemental analysis, mass spectrometry, vibrational spectroscopy (IR and Raman) and multinuclear NMR ( 1 H, 13 C, 15 N) spectroscopy and differential scanning calorimetry (DSC). Lastly, attempts to synthesize the fluoride and the energetically interesting azide salts are discussed.