期刊
CHEMISTRY-A EUROPEAN JOURNAL
卷 19, 期 27, 页码 8929-8936出版社
WILEY-V C H VERLAG GMBH
DOI: 10.1002/chem.201300747
关键词
energetic properties; explosives; impact sensitivities; nitramines; pyrazoles
资金
- ONR [N00014-10-1-0536, N00014-11-AF-0-0002]
1,3-Dichloro-2-nitro-2-azapropane is an excellent precursor to dense energetic functionalized dipyrazolyl-N-nitromethanamines. This new family of energetic compounds was fully characterized by using 1H, 13C, and 15NNMR and IR spectroscopy, differential scanning calorimetry, elemental analysis, and impact sensitivity tests. Additionally, single-crystal X-ray structuring was done for 3 and 5CH3CN, which gave insight into structural characteristics. The experimentally determined densities of 2-9 fall between 1.69 and 1.90gcm-3. Heats of formation and detonation properties were calculated by using Gaussian03 and EXPLO5 programs, respectively. The influence of different energetic moieties on the structural and energetic properties was established theoretically.
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