Naslov
Polynitro Containing Energetic Materials based on Carbonyldiisocyanate and 2, 2-Dinitropropane-1, 3-diol

Autori
Klapötke, Thomas ; Krumm, Burkhard ; Rest, Sebastian ; Sućeska, Muhamed

Izvornik
Zeitschrift für anorganische und allgemeine Chemie (0044-2313) 640 (2014), 1; 84-92

Vrsta, podvrsta i kategorija rada
Radovi u časopisima, članak, znanstveni

Ključne riječi
X-ray diffraction; thermochemistry; NMR spectroscopy; high energy dense oxidizer; sensitivity

Sažetak
New polynitro compounds containing a carbonyl biscarbamate moiety derived from the precursor carbonyldiisocyanate were synthesized. In addition, 2, 2-dinitropropane-1, 3-diyl bis(2, 2, 2-trinitroethylcarbamate) and 2, 2-dinitropropane-1, 3-diyl bis(2, 2, 2-trinitroethyl) dicarbonate, were synthesized using 2, 2-dinitropropane-1, 3-diol as starting material. The compounds were characterized by using the analytical methods, single-crystal X-ray diffraction, vibrational spectroscopy (IR and Raman), multinuclear NMR spectroscopy, elemental analysis, and mass spectrometry. The thermal behavior was investigated with DSC measurements. The suitability of the compounds as potential oxidizers in energetic formulations was determined. Theheats of formation of the compounds were calculated with GAUSSIAN 09. The detonation parameters such as the detonation pressure, velocity, energy, and temperature were computed using the EXPLO5 code. For a secure handling of the materials, the sensitivity towards impact, friction, and electrical discharge was tested using the BAM drop hammer, BAM friction tester as well as a small-scale electrical discharge device, respectively.

Izvorni jezik
Engleski

Znanstvena područja
Kemija, Kemijsko inženjerstvo

POVEZANOST RADA