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Issue 29, 2008
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Triaminoguanidinium dinitramide—calculations, synthesis and characterization of a promising energetic compound

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Abstract

The highly energetic compound 1,3,5-triaminoguanidinium dinitramide (1) was prepared in high yield (82%) according to a new synthesis by the reaction of potassium dinitramide and triaminoguanidinium perchlorate. The heat of formation was calculated in an extensive computational study (CBS-4M). With this the detonation parameters of compound 1 were computed using the EXPLO5 software: D = 8796 m s−1, p = 299 kbar. In addition, a full characterization of the chemical properties (single X-ray diffraction, IR and Raman spectroscopy, multinuclear NMR spectroscopy, mass spectrometry and elemental analysis) as well as of the energetic characteristics (differential scanning calorimetry, thermal safety calorimetry, impact, friction and electrostatic tests) is given in this work. Due to the high impact (2 J) and friction sensitivity (24 N) several attempts to reduce these sensitivities were performed by the addition of wax. The performance of 1 was tested applying a “Koenen” steel sleeve test resulting in a critical diameter of ≥10 mm.

Graphical abstract: Triaminoguanidinium dinitramide—calculations, synthesis and characterization of a promising energetic compound

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Publication details

The article was received on 18 Mar 2008, accepted on 29 Apr 2008 and first published on 09 Jun 2008


Article type: Paper
DOI: 10.1039/B804504F
Citation: Phys. Chem. Chem. Phys., 2008,10, 4340-4346
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    Triaminoguanidinium dinitramide—calculations, synthesis and characterization of a promising energetic compound

    T. M. Klapötke and J. Stierstorfer, Phys. Chem. Chem. Phys., 2008, 10, 4340
    DOI: 10.1039/B804504F

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