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Klapötke, Thomas M.; Pflüger, Carolin; Reintinger, Markus W. (2016): Energetic Materials Based on 5,7-Dinitrobenzotriazole and 4,6-Dinitrobenzotriazol-3-ium 1-Oxide Derivatives. In: European Journal of inorganic Chemistry, Nr. 1: S. 138-147
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Abstract

Tailoring the properties of energetic materials is an ongoing challenge in the development of new materials. Various nitrogen-rich salts of 5,7-dinitrobenzotriazole, 4,6-dinitrobenzotriazole 1-oxide, and 5,7-diamino-4,6-dinitrobenzotriazole 1-oxide were synthesized to improve the energetic properties and stabilities of the corresponding nonionic parent compounds. Furthermore, the acidic N-H group was derivatized by alkylation to introduce nitramines as another energetic group. All presented compounds were comprehensively characterized by NMR and vibrational spectroscopy, mass spectrometry, and elemental analysis. The energetic properties were also explored and their detonation performances calculated with the Explo5 code. Several compounds were additionally investigated by single-crystal X-ray diffraction.