THRESHOLD EFFECTS AND REACTION BARRIER IN THE LI+FH REACTION AND ITS ISOTOPIC VARIANTS

Threshold effects are a sensitive function of the mass of the isotopic substitute in the Li + FX (X = H, D, T) series of reactions. Quantum and quasiclassical calculations were carried out to find a rationale f or these effects, Extended calculations were also performed to evaluat e detailed reactive properties of the Li + FH reaction. This allowed a n investigation of the applicability both of the J shifting model when evaluating the reactive cross sections from zero total angular moment um probabilities and of the main features of the reactive dynamics. Ad ditional detailed tests of the suitability of the used PES were carrie d out by comparing calculated and measured detailed product properties .