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Nitramines with Varying Sensitivities: Functionalized Dipyrazolyl‐ N ‐nitromethanamines as Energetic Materials
Author(s) -
Zhang Jiaheng,
He Chunlin,
Parrish Damon A.,
Shreeve Jean'ne M.
Publication year - 2013
Publication title -
chemistry – a european journal
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 1.687
H-Index - 242
eISSN - 1521-3765
pISSN - 0947-6539
DOI - 10.1002/chem.201300747
Subject(s) - materials science , chemistry
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 1 H, 13 C, and 15 N NMR and IR spectroscopy, differential scanning calorimetry, elemental analysis, and impact sensitivity tests. Additionally, single‐crystal X‐ray structuring was done for 3 and 5⋅ CH 3 CN, which gave insight into structural characteristics. The experimentally determined densities of 2 – 9 fall between 1.69 and 1.90 g cm −3 . Heats of formation and detonation properties were calculated by using Gaussian 03 and EXPLO5 programs, respectively. The influence of different energetic moieties on the structural and energetic properties was established theoretically.