Mechanism of Gas-Phase Nucleophilic Displacement Reaction of NO2(1-) with Ethyl Nitrate

Article abstract of DOI:10.1021/j100262a001

A mechanism for the gas-phase nucleophilic displacement reaction, NO2(1-) + C2H5ONO2 --> NO3(1-) + C2H5ONO, has been postulated on the basis of the calculated stabilities of the (NO2(1-)*C2H5ONO2) complex.The potential-energy diagram for the reaction pathway is characterized by three minima.The relative yield of NO3(1-) in mixtures with various bath gases has been examined with high-pressure mass spectrometry.The results indicate that the efficiency of NO3(1-) production depends upon the nature of the third body.