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3‐Nitramino‐4‐nitrofurazan: Enhancing the Stability and Energetic Properties by Introduction of Alkylnitramines
Author(s) -
Klapötke Thomas M.,
Pflüger Carolin
Publication year - 2017
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201700037
Subject(s) - nitration , detonation , explosive material , detonation velocity , sensitivity (control systems) , thermal stability , materials science , computational chemistry , alkylation , diffraction , chemistry , thermodynamics , physics , organic chemistry , catalysis , engineering , quantum mechanics , electronic engineering
Nitration of 3‐amino‐4‐nitrofurazan with N 2 O 5 yielded the corresponding nitramine. 3‐Nitramino‐4‐nitrofurazan is a very promising explosive regarding detonation performance but it suffers from its hygroscopicity, low thermal stability, and high sensitivity to external stimuli. The introduction of other nitramine groups either by alkylation with 1‐chloro‐2‐nitrazapropane or by combination of two 3‐nitramino‐4‐nitrofurazans yielded the corresponding more stable and non‐hygroscopic open‐chain nitramines. Their molecular structures were investigated by single‐crystal X‐ray diffraction. The remarkable difference of their impact sensitivities were evaluated by calculation of their electrostatic potential of the molecular surfaces. Furthermore, the detonation parameters and combustion parameters of the open‐chain nitramines were computed with the EXPLO5 (v. 6.02) computer code.