Abstract: Ab initio UMP2(full) method has been used to study the mechanism of NH2＋O3 reaction. The geometry configurations of reactants,productions, intermediates and transition states were optimized at 6-31G* level, and the energy parameters were calculated using Ganssian-3(G3) model. The results show that there are two different pathways for the reaction of NH2 radicals with ozone. One of them has very low activation energy, so it happens easily. Therefore, the results of this theoretical study indicate that NH2 radicals in the atmosphere are able to deplete ozone remarkably.

Key words: Ozone, Transition states, NH₂ radicals, Ab initio