Theoretical Studies on Reaction Mechanism of CH4 and N2+ Reaction

In Titan atmosphere the reaction of CH, and N-2(+) plays an important role. The theoretical study of the reaction potential energy surface information of the reaction of CH, and N2+ with modern quantum chemistry theory gave four possible reaction channels. In all the reaction paths, if the reactants possess high energy, then path P2(1), path P2(2) and path P3 will be the dominated paths, and the products should be (CH3 + N2H+) for P2 and (CH3+ + N-2 + H) for P3. However, if the reactants have less energy, then path P1, path P2(1) and path P2(2) will be dominant and the product obtained may be P1(CH4+ + N-2) and P2(CH3 + N2H+).