A quantum mechanical study of the collinear Li+FH reaction

Abstract

A quantum mechanical collinear model of the LiFH reaction is studied using the semiempirical potential energy surface of Zeiri and Shapiro. Accurate reaction probabilities are presented over the total scattering energy range from 0.5 to 1.6 eV. At 1.6 eV, three HF reactant vibrational states are energetically accessible, and 15 LiF product vibrational states are accessible. The reaction probabilities show extensive resonance features over the energy range considered, and there is considerable evidence for the formation of a long‐lived collision complex from the initial v=1 state of HF.