4.1 Article

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

Journal

ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
Volume 636, Issue 15, Pages 2555-2564

Publisher

WILEY-V C H VERLAG GMBH
DOI: 10.1002/zaac.201000298

Keywords

Energetic materials; Azoles; Dinitramides; Detonation parameters; IR spectroscopy; NMR spectroscopy

Funding

  1. Ludwig-Maximilian University of Munich (LMU)
  2. U.S. Army Research Laboratory (ARE)
  3. Armament Research, Development and Engineering Centre (ARDEC)
  4. Strategic Environmental Research and Development Program (SERDP)
  5. Office of Naval Research (ONR Global) [W911NF-09-2-0018, W911NF-09-1-0120, WO11NE-09-1-0056, 10 WPSEED01-002 / WP-1765]

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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), 3,5cliamino-1,2,4-triazolium nitrate (3) and 3,5-diamino-1,2,4-triazolium perchlorate (4), respectively. In a second step 4 reacted with potassium dinitramide forming 3,5-diamino-1,2,4-triazolium dinitramide (5) and low soluble potassium perchlorate. Compounds 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 heats 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) k.J.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 1-5 were determined by the BAM drophammer and friction tester as well as a small scale electrical discharge device.

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