Structural and Theoretical Investigations of 3,4,5-Triamino-1,2,4-Triazolium Salts

Structural and Theoretical Investigations of 3,4,5-Triamino-1,2,4-Triazolium Salts

Reactions using the high nitrogen heterocycle 3,4,5‐triamino‐1,2,4‐triazole (guanazine) with strong acids (HNO3, HClO4, and “HN(NO2)2”) resulted in a family of highly stable salts. All of the salts were characterized using spectroscopic as well as single crystal X‐ray diffraction studies. The X‐ray...

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Veröffentlicht in:Propellants, explosives, pyrotechnics explosives, pyrotechnics, 2005-10, Vol.30 (5), p.329-337
Hauptverfasser: Drake, Gregory W., Hawkins, Tommy W., Hall, Leslie A., Boatz, Jerry A., Brand, Adam J.
Format: Artikel
Sprache:eng
Schlagworte:
Calculations
Dinitramide
Heterocycles
Nitrate
Perchlorate
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Zusammenfassung:Reactions using the high nitrogen heterocycle 3,4,5‐triamino‐1,2,4‐triazole (guanazine) with strong acids (HNO3, HClO4, and “HN(NO2)2”) resulted in a family of highly stable salts. All of the salts were characterized using spectroscopic as well as single crystal X‐ray diffraction studies. The X‐ray structures were compared to that obtained from theoretical calculations (MP2/6‐311+G(d, p) level). Initial safety testing (impact, friction) was carried out on all of the new materials.
ISSN:0721-3115
1521-4087
DOI:10.1002/prep.200500022