183852-46-2Relevant articles and documents
Reaction of azides with dioxygenyl salts: Is dioxygenyl azide existent?
Holfter,Klapoetke,Schulz
, p. 855 - 864 (2008/10/08)
The reactivity of sodium azide, activated sodium azide and hydrazinium azide towards various dioxygenyl tetrafluoroborate and dioxygenyl hexafluoroantimonate salts was studied both at low temperature in SO2 solution and in the solid state. Under no circumstances the formation of dioxygenyl azide, O2N3, 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 O2+(g) / N3-(g) to be thermodynamically highly favourable (MP2: -326; PMP2: -328; CISD: -369 kcal mol-1). Moreover, no true minimum for covalently bound dioxygenyl azide was found at any level of theory applied. The combustion of O2BF4 with either N2H5N3 (spontaneous reaction on contact in a coaxial solid-propellant system) or NaN3 (safe to handle, highly exothermic reaction after ignition) is discussed in terms of high energetic materials. Gauthier-Villars.