In this paper we report a combined experimental and theoretical study on the dynamics of the prototype insertion reaction C( 1 D) þ H 2 . Product angular and velocity distributions have been obtained in crossed beam experiments at two collision energies of 7.8 and 16.0 kJ mol À1 . Quasiclassical trajectory (QCT) and quantum mechanical (QM) scattering calculations have been carried out on a recent accurate ab initio potential energy surface at the energies of the experiments. The molecular beam results have been simulated using the theoretical calculations. Reasonably good agreement between experiment and theory is found.

In this paper we report a combined experimental and theoretical study on the dynamics of the insertion reaction C((1)D)+D(2) at 15.5 kJ mol(-1) collision energy. Product angular and velocity distributions have been obtained in crossed beam experiments and quasiclassical trajectory (QCT) and rigorous statistical calculations have been performed on the recent and accurate ab initio potential energy surface of Bussery-Honvault, Honvault, and Launay at the energy of the experiment. The molecular-beam results have been simulated using the theoretical calculations. Good agreement between experiment and both QCT and statistical predictions is found.

We present experimental data on the dissociative recombination ͑DR͒ and the dissociative excitation ͑DE͒ of O 2 ϩ in its electronic and vibrational ground state using a heavy ion storage ring. The absolute DR cross section has been determined over an electron collision energy range from 1 meV to 3 eV. The thermal DR rate coefficient is derived; ␣(T e )ϭ2.4ϫ10 Ϫ7 (300/T e ) 0.70Ϯ0.01 cm 3 s Ϫ1 , for TϾ200 K. The threshold for DE was observed near its energetic threshold of 6.7 eV. The DE cross section curve has a maximum of 3ϫ10 Ϫ16 cm 2 near 15 eV. We have determined the branching fractions to the different dissociation limits and present atomic quantum yields for the DR process between 0 to 300 meV collision energy. The quantum yield of O( 1 D) is found to be 1.17Ϯ0.05, largely independent of the electron energy. Arguments are presented that the branching fraction to O( 3 P)ϩO( 1 S) is negligible. The branching fraction to the O( 1 S)ϩO( 1 D) is smaller than 0.06 and varies strongly as a function of collision energy. The O( 1 S) quantum yield is a strong function of electron temperature. Hence, the relative strength of the green, O( 1 S), and the red, O( 1 D), airglows may be used as a measure of the electron temperature of the upper atmosphere. A qualitative explanation is given of the consequences of nonadiabatic interactions in the dissociation step of the DR process.

In a crossed molecular-beam study we have measured angular and time-of-flight distributions of the product LiF from the reaction Li + HF(upsilon = 0)-->LiF + H at various collision energies ranging from 97 to 363 meV for three markedly different rotational state distributions of HF obtained at nozzle temperatures close to 315, 510, and 850 K. Particularly, for the low and intermediate collision energies we observe significant effects of the varying j-state populations on the shape of the product angular distributions. At 315 K an additional feature appears in the angular distributions which is interpreted as being due to scattering from HF dimers. The experimental data are compared with simulations of the monomer reaction based on extensive quasiclassical trajectory calculations on a new state-of-the-art ab initio potential energy surface. We find an overall good agreement between the theoretical simulations and the experimental data for the title reaction, especially at the highest HF nozzle temperature.

We have measured the dependence of the relative integral cross section of the reaction Li + HF → LiF + H on the collision energy (excitation function) using crossed molecular beams. By varying the intersection angle of the beams from 37° to 90° we covered the energy range 25 meV ≤ E(tr) ≤ 131 meV. We observe a monotonous rise of the excitation function with decreasing energy over the entire energy range indicating that a possible translational energy threshold to the reaction is significantly smaller than 25 meV. The steep rise is quantitatively recovered by a Langevin-type excitation function based on a vanishing threshold and a mean interaction potential energy ∝R(-2.5) where R is the distance between the reactants. To date all threshold energies deduced from ab initio potentials and zero-point vibrational energies are at variance with our results, however, our findings support recent quantum scattering calculations that predict significant product formation at collision energies far below these theoretical thresholds.