Nitramines with Varying Sensitivities: Functionalized Dipyrazolyl- N-nitromethanamines as Energetic Materials

被引：69
作者：
Zhang, Jiaheng [1 ]
He, Chunlin [2 ]
Parrish, Damon A. [3 ]
Shreeve, Jean'ne M. [2 ]
机构：
[1] China Agr Univ, Dept Appl Chem, Beijing 100193, Peoples R China
[2] Univ Idaho, Dept Chem, Moscow, ID 83844 USA
[3] Naval Res Lab, Washington, DC 20375 USA
来源：
CHEMISTRY-A EUROPEAN JOURNAL | 2013年 / 19卷 / 27期
关键词：
energetic properties; explosives; impact sensitivities; nitramines; pyrazoles; POTENTIALS; DESIGN; SALTS;
D O I：
10.1002/chem.201300747
中图分类号：
O6 [化学];
学科分类号：
0703 ;
摘要：
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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页码：8929 / 8936
页数：8
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