Journal
ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE
Volume 636, Issue 15, Pages 2555-2564Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/zaac.201000298
Keywords
Energetic materials; Azoles; Dinitramides; Detonation parameters; IR spectroscopy; NMR spectroscopy
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Funding
- Ludwig-Maximilian University of Munich (LMU)
- U.S. Army Research Laboratory (ARE)
- Armament Research, Development and Engineering Centre (ARDEC)
- Strategic Environmental Research and Development Program (SERDP)
- 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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