Experimental and theoretical study of the Li+HF (v=1) -> LiF+H reaction

Laboratory angular distributions (LAB ADs) have been measured for the Li HF (upsilon = 1, j = 1) reaction in a crossed molecular beam experiment at the collision energies 0.231 eV and 0.416 eV and compared with the results of extensive quasi-classical trajectory (QCT) calculations performed on the most recent ab initio potential energy surface (PES) for this system. The calculations also include the collision energy dependence of the integral a nd differential cross sections in the range 0.025-0.5 eV (2.4-48.2 kJ mol(- 1)). In particular, the total QCT integral reactive cross sections have bee n found to be in very good agreement with recent quantum mechanical (QM) ca lculations carried out on the same PES by Lara et al. (J. Chem. Phys., 1998 , 109, 9391). In addition, the triple scattering angle-recoil velocity diff erential cross section has been calculated in order to simulate the experim ental LAB AD. An excellent concordance between both sets of data has been f ound, indicating that the reaction of Li with HF in upsilon = 1 can be very well described by QCT calculations on the mentioned PES.