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Structural and Theoretical Investigations of 3,4,5‐Triamino‐1,2,4‐Triazolium Salts
Author(s) -
Drake Gregory W.,
Hawkins Tommy W.,
Hall Leslie A.,
Boatz Jerry A.,
Brand Adam J.
Publication year - 2005
Publication title -
propellants, explosives, pyrotechnics
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.56
H-Index - 65
eISSN - 1521-4087
pISSN - 0721-3115
DOI - 10.1002/prep.200500022
Subject(s) - single crystal , crystallography , diffraction , nitrogen , crystal structure , materials science , chemistry , organic chemistry , physics , optics
Reactions using the high nitrogen heterocycle 3,4,5‐triamino‐1,2,4‐triazole (guanazine) with strong acids (HNO 3 , HClO 4 , and “HN(NO 2 ) 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.