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.
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Sprache:eng
Schlagworte:
Calculations
Dinitramide
Heterocycles
Nitrate
Perchlorate
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container_end_page 337
container_issue 5
container_start_page 329
container_title Propellants, explosives, pyrotechnics
container_volume 30
creator Drake, Gregory W.
Hawkins, Tommy W.
Hall, Leslie A.
Boatz, Jerry A.
Brand, Adam J.
description 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.
doi_str_mv 10.1002/prep.200500022
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subjects Calculations
Dinitramide
Heterocycles
Nitrate
Perchlorate
title Structural and Theoretical Investigations of 3,4,5-Triamino-1,2,4-Triazolium Salts
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