4.6 Article

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

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

  1. ONR [N00014-10-1-0536, N00014-11-AF-0-0002]

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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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