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Energetic Furazan and Triazole Moieties: A Promising Heterocyclic Cation
Author(s) -
Xiong Hualin,
Yang Hongwei,
Cheng Guangbin,
Zhang Zaichao
Publication year - 2019
Publication title -
chemistryselect
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.437
H-Index - 34
ISSN - 2365-6549
DOI - 10.1002/slct.201900994
Subject(s) - thermal stability , detonation , chemistry , 1,2,4 triazole , standard enthalpy of formation , elemental analysis , single crystal , infrared spectroscopy , crystal structure , density functional theory , infrared , triazole , crystallography , computational chemistry , inorganic chemistry , organic chemistry , explosive material , physics , optics
Furazan has rarely been involved in the development of energetic cations. Now a new cation based on furazan and triazole moieties 3‐amino‐4‐(4,5‐diamino‐1, 2, 4‐triazol‐3‐yl)furazan ( 2 ) and a series of energetic salts were explored as good thermal stable and insensitive energetic materials. These new salts were further characterized by elemental analysis, infrared and multinuclear NMR spectra. The structures of 3–6 and 8 were supported by single‐crystal X‐ray diffraction. The physicochemical and energetic properties for all synthesized energetic compounds, including density, thermal stability and energetic performance were investigated. The measured density of compounds 2–10 are in the range of 1.65 g cm −3 to 1.84 g cm −3 . Compounds 2–10 have good thermal stabilities (197‐272 °C). Based on the measured density and calculated heat of formation, they show good calculated detonation performances ( D : 7980 m s −1 to 8883 m s −1 , P : 22.6 GPa to 34.8 GPa). More importantly, they exhibit low sensitivities ( IS : 20 J to 40 J, FS : 280 N to 360 N).