Theoretical Studies On The Dynamics For The Reaction Between H～+, F And H₂ Molecule

In recent years, the collision properties of the highly excited Rydberg atoms have been the subject of experimentalists and theorists for their many uses. And the properties of these atoms are quite different from that of atoms in the ground or lower excited states when they interact with the atoms and molecules. In a recent report, we have presented the results of an experimental study of reaction H(n)+ D₂ (v =0,j=0)→HD(v',j') +D(n') carried out using a crossed molecular beam apparatus, the state resolved DCS was measured at two collision energies. It was noted that the rotational product distribution obtained was consistent with earlier results for the ion-molecule reaction H⁺+D₂ that were measured at one scattering angle. The experiment has provided a fully state resolved differential cross section, and thus a scattering calculation is required for the H⁺+D₂ system. While converged numerical quantum scattering calculations have been accomplished for a number of neutral A+BC reactions, ion-molecule reactions present a severe challenge. Long ranged potential interactions and the generic existence of deep binding wells have thus far restricted accurate quantum calculations to single partial wave scattering, i.e. zero impact parameter. Thus, we adopt the quasiclassical trajectory (QCT) methodology to model the system. While quantum effects will surely play a role in the detailed state and angle distribution of the reaction, the QCT approach has been widely tested and has often been found to yield reasonably good agreement with full quantum scattering...