Premium
High energetic materials: Reaction of Azides with Dioxygenyl Salts
Author(s) -
Holfter Hagen,
Klapötke Thomas M.,
Schulz Axel
Publication year - 1997
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.19970220111
Subject(s) - sodium azide , azide , exothermic reaction , chemistry , reactivity (psychology) , ab initio , decomposition , propellant , computational chemistry , energetic material , organic chemistry , explosive material , medicine , alternative medicine , pathology
The reactivity of sodium azide, activated sodium azide and hydrazinium azide towards various dioxygenyl salts was studied. Under no circumstances the formation of dioxygenyl azide, O 2 N 3 , could be observed. This is in agreement with high level quantumchemical ab initio computations at correlated level (MP2, PMP2, CISD), predicting the decomposition of hypothetical O 2 + (g)/N 3 − (g) to be thermodynamically highly favorable (MP2: −326; PMP2: −328; CISD; −369 [kcal/mol]). The combustion of O 2 BF 4 with either N 2 H 5 N 3 (spontaneous reaction on contact in a coaxial solid‐propellant system) or NaN 3 (safe to handle, highly exothermic reaction after ignition) is discussed in terms of high‐energy‐density materials (HEDM).\documentclass{article}\pagestyle{empty}\begin{document}$$ \begin{array}{l} {\rm NaN}_{\rm 3} + {\rm O}_{\rm 2} {\rm BF}_{\rm 4} + 4/3\,{\rm Al} \rightarrow {\rm NaBF}_{\rm 4} + 3/2\,{\rm N}_{\rm 2} + 2/3\,{\rm Al}_{\rm 2} {\rm O}_{\rm 3} \\ \Delta {\rm H = - 434}\,{\rm kcal/mol} \\ \end{array} $$\end{document}