Journal
EUROPEAN JOURNAL OF INORGANIC CHEMISTRY
Volume -, Issue 7, Pages 880-896Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/ejic.200800995
Keywords
Density functional calculations; Energetic materials; Heterocycles; Secondary interactions
Categories
Funding
- Ludwig-Maximilians-Universitat Munchen (LMU)
- Fonds der Chemischen Industrie (FCI)
- U.S. Army Research Laboratory (ARL)
- Armament Research, Development and Engineering Center (ARDEC) [N 6255805-C-0027, RD 1284-CH-01, RD 1285-CH-01, 9939-AN-01, W911NF-07-1-0569]
- Bundeswehr Research Institute for Materials, Explosives, Fuels and Lubricants (WIWEB) [E/E210/4D004/X5143, E/E210/7D002/417088]
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Ionic salts containing the novel 5 -ammo- 2 -methyl- and 5-amino-1,3-dimethyltetrazolium cations with energetic anions (perchlorate, nitrate, azide and dinitramide) have been synthesized in high yields and purities and fully characterized. A full structural description by spectroscopic methods (vibrational and N-15 NMR spectroscopy) and X-ray analysis is given. Unexpectedly, salts based on the asymmetric 5-amino-1,3-dimethyltetrazolium cation have higher densities than analogue compounds containing the isomeric 5-amino-1,4-dimethyltetrazolium cation, regardless of the lower symmetry of the former. This can be attributed to secondary interactions between the cation and anion and is reflected in the higher detonation parameters of the new compounds, which represent a new class of nitrogen-rich, high-performing materials with low sensitivity and good potential for energetic applications. (C) Wiley-VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2009)
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