Synthesis and Characterization of 3,5-Diamino-1,2,4-triazolium Dinitramide

Jörg Stierstorfer (1) , Thomas Klapoetke (1) , Franz Martin (1) , Norbert Mayr (1)

1 Chemistry

3,5-Diamino-1,2,4-triazole (1, guanozol) was protonated with diluted hydrochloric acid, nitric acid, as well as perchloric acid forming 3,5-diamino-1,2,4-triazolium chloride hemihydrate (2), 3,5-diamino-1,2,4-triazolium nitrate (3) and 3,5-diamino-1,2,4-triazolium perchlorate (4), respectively. In a second step 4 was reacted with potassium dinitramide forming 3,5-diamino-1,2,4-triazolium dinitramide (5) and low soluble potassium perchlorate. 2-5 were characterized by low temperature single X-ray diffraction, IR and Raman as well as multinuclear NMR spectroscopy, mass spectrometry and differential scanning calorimetry. The heat of formation of 1-5 were calculated by the CBS-4M method to be 81.1 (1), 124.7 (2), -76.1 (3), -25.2 (4) and 138.7 (5) kJ mol-1. With these values as well as the X ray densities several detonation parameters were calculated using both computer codes EXPLO5.03 and EXPLO5.04. In addition, the sensitivities of 2-5 were determined by the BAM drophammer and friction tester as well as a small scale electrical discharge device.

Mots clés: Physical Sciences

Jörg Stierstorfer, Thomas Klapoetke, Franz Martin, Norbert Mayr. Synthesis and Characterization of 3,5-Diamino-1,2,4-triazolium Dinitramide. Journal of Inorganic and General Chemistry / Zeitschrift für anorganische und allgemeine Chemie, 2010, 636 (15), pp.2555. ⟨10.1002/zaac.201000298⟩. ⟨hal-00580684⟩