The UHF/AMl calculations were applied to study the thermolyses of o- dimethylaminobenzoyl, o-dimethylamino-p-methylbenzoyl and o- dimethylamino-p-nitrobenzoyl azides. The results obtained indicate that these substances are decomposed into different products via four competing routes, i.e. exothermic process, endothermic process, converted reaction mechanism, and multistep reaction mechanism, depending upon the different substituents on the molecules.

Key words: AZODES, THERMAL DECOMPOSITION, TRANSITION STATE, METHANAMINE P, SUBSTITUENT GROUP