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Synthesis, Structure, and Energetic Properties of 1,5‐Diaminotetrazolium Sulfate Salts
Author(s) -
Qian Yao,
Han Zhiyue,
Zhang Yinghao,
Du Zhiming,
Zhao Yan,
Yang Yuezhen,
Zhang Jingchang
Publication year - 2016
Publication title -
journal of heterocyclic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.321
H-Index - 59
eISSN - 1943-5193
pISSN - 0022-152X
DOI - 10.1002/jhet.2579
Subject(s) - chemistry , detonation , detonation velocity , sulfate , crystal structure , work (physics) , chloride , explosive material , inorganic chemistry , crystallography , thermodynamics , organic chemistry , physics
1,5‐diaminotetrazolium chloride (DATC) and 1,5‐diaminotetrazolium sulfate (DATS) were synthesized in this work. The structures of DATS and DATC were characterized. The single crystal of DATS was first cultured, and its structure was analyzed. The thermal behavior of DATS was investigated. The activation energy and pro‐exponential factor were calculated, E k = 120.86 KJ/mol, A k = 10 12.96 s −1 . The density, heat of formation, detonation pressure, and detonation velocity of DATS were first calculated. The detonation pressure and detonation velocity of DATS are P = 11.877 GPa, D = 5.617 km s −1 , which are smaller than those of 1,5‐diaminotetrazolium nitrate (DATN) ( P = 33.3GPa, D = 8.77 km s −1 ).