Journal
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
Volume -, Issue 21, Pages 3474-3484Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ejic.201200221
Keywords
Nitrogen heterocycles; Energetic materials; Explosives; Thermodynamics
Categories
Funding
- Ludwig-Maximilians University (LMU) of Munich
- U.S. Army Research Laboratory (ARL) [W911NF-09-2-0018]
- Armament Research, Development and Engineering Center (ARDEC) [W911NF-09-1-0120, W011NF-09-1-0056]
- Strategic Environmental Research and Development Program (SERDP) [10 WPSEED01-002/W-1765]
- Office of Naval Research [ONR Global]
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In this contribution the improvements achieved in the synthesis of the thermally stable energetic heterocycle 5,5'-dinitro-2H,2'H-3,3'-bi-1,2,4-triazole (DNBT) are described. The main goal was the synthesis of at least equally stable but more powerful energetic compounds based on the DNBT2 anion in combination with nitrogen-rich cations. A complete structural and spectroscopic characterization, including IR, Raman, and multinuclear NMR analyses of the uncharged compound is presented. In addition, X-ray crystallographic measurements on DNBT revealed a very high density of 1.903 g cm(-3). To increase both performance and stability, highly nitrogen-rich salts of DNBT formed from ammonium, hydroxyammonium, hydrazinium, guanidinium, aminoguanidinium and triaminoguanidinium cations were prepared and fully characterized by vibrational and multinuclear NMR spectroscopy, DSC, and X-ray diffraction measurements. The standard enthalpies of formation were calculated for selected compounds at the CBS-4M level of theory and the detonation parameters were calculated by using the EXPLO5.5 program. In addition, the impact as well as friction sensitivities and sensitivity against electrostatic discharge were determined.
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