The exothermic decompositions of the tosyl azide 1 and two diazides, 4,4'-diazidodiphenyl ether, (N3C6H4)2O 2 and 4,4'-diazidodiphenyl sulfide, (N3C6H4)2S (3), were studied theoretically using the CHETAH protocol, and experimentally using DSC, weight loss TGA-FTIR and C80-FTIR techniques. Numerical modelling and MS-spectroscopy were also performed to estimate the nature of the intrinsic molecular reactivity of the azides 1-3 as possible early stages of an oxidative self-heating process.
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