Mechanism of the Gas-Phase Reactions of C3H6 and NO3 Radicals

Article abstract of DOI:10.1021/j100463a023

Gas-phase reactions of propylene with NO3 were investigated in the C3H6-N2O50-O2/N2 system by Fourier transform infrared spectrometry.New type of nitrogen-containing compounds, nitroxyperoxypropyl nitrate (NPPN, CH3CH(ONO2)CH2(OONO2) and/or CH3CH(OONO2)CH2(ONO2)) and nitroxypropyl nitrite (NPN, CH3CH(ONO2)CH2(ONO) and/or CH3CH(ONO)CH2(ONO2)) were identified for the reaction systems with and without O2, respectively.Both nitroxy conpounds were unstable, and their kinetic behaviors suggest that they are intermediate species in the formation of the final product, propylene glycol 1,2-dinitrate (PGDN).The reaction was concluded to be initiated by the addition reaction of the NO3 radical to propylene, and an overall reaction mechanism for the C3H6-N2O5 system was proposed.