Vibration Dynamics of H+F2 Reactive Scattering

Abstract

In this paper the vibration distributions of H+F2 reaction on the ground electronic state, which are important for chemical laser, have been examined. The HF molecule formed by this reaction has been examined depending on the initial and final vibration states in particular collision energies. The results have been obtained using time dependent quantum mechanical Real Wave Packet (RWP) method on Potential Energy Surface (PES), which can be given more realistic values in the strong interaction region. The state to state reaction distributions have been calculated to be able to compare with both experimental results at the collision energy of 0.105 eV and QuasiClassical Trajectories (QCT) results depended on LEPS potential at the collision energies of 0.494 eV and 0.086 eV. Also in this study, the obtained rate constants have been compared by theoretical and experimental values in the literature and are found to be in good agreement with each other.