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Polynitro Containing Energetic Materials based on Carbonyldiisocyanate and 2, 2‐Dinitropropane‐1, 3‐diol
Author(s) -
Klapötke Thomas M.,
Krumm Burkhard,
Rest Sebastian F.,
Sućeska Muhamed
Publication year - 2014
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201300563
Subject(s) - detonation , detonation velocity , moiety , diol , elemental analysis , chemistry , raman spectroscopy , energetic material , explosive material , standard enthalpy of formation , mass spectrometry , analytical chemistry (journal) , single crystal , infrared spectroscopy , thiazole , thermal analysis , thermal , organic chemistry , crystallography , thermodynamics , chromatography , physics , optics
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. The heats 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.