Pyrolysis of aromatic nitro compounds

Abstract

In order to obtain some information for molecular design of energetic materials, pyrolysis study has been done for para substituted nitro benzenes as a typical energetic material at 386-1040°C using curie point pyrolyzer. Product analyses of these pyrolyses show that the reduction of nitro compounds which gives nitroso and/or amino compounds is important on early stage of thermal decomposition reaction at low temperature. However, elimination of nitroso group from the nitroso compounds is also becoming important at higher temperature. The M.O. calculations of these compounds by PM-3 method show that dissociation energy of C-N bond in the nitro compounds in higher than one in the nitroso compounds. This results suggest that the elimination of nitro group goes via nitroso compounds rather than direct elimination.