Journal
CHEMISTRY-AN ASIAN JOURNAL
Volume 7, Issue 4, Pages 707-714Publisher
WILEY-V C H VERLAG GMBH
DOI: 10.1002/asia.201100702
Keywords
density functional calculations; detonation performance; energetic salts; heterocycles; tetrazoles
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Funding
- Specialized Research Fund for the Doctoral Program of Higher Education [20091101110033]
- National Defense 973 Program [3100021210901]
- National Natural Science Fund Project [21172020]
- Pre-Research Foundation of China North Chemical Industries (Group) Co. [3100021021002]
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3,4-Bis(1H-5-tetrazolyl)furoxan (H2BTF, 2) and its monoanionic salts that contain nitrogen-rich cations were readily synthesized and fully characterized by multinuclear NMR (1H, 13C) and IR spectroscopy, differential scanning calorimetry (DSC), and elemental analyses. Hydrazinium (3) and 4-amino-1,2,4-triazolium (7) salts crystallized in the monoclinic space group P2(1)/n and have calculated densities of 1.820 and 1.764 g?cm-3, respectively. The densities of the energetic salts range between 1.63 and 1.79 g?cm-3, as measured by a gas pycnometer. Detonation pressures and detonation velocities were calculated to be 23.132.5 GPa and 77408790 m?s-1, respectively.
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