Reactive molecular collision calculations

Total cross sections for the reaction of H+2(v′) with He were calculated for v′=0 to 5 over a range of total energies between 1 and 5 eV using classical mechanics. The potential surface used was an appropriate diatomics‐in‐molecules function adjusted to fit existing ab initio points. In agreement with experiment, reagent vibrational excitation is very effective in promoting formation of HeH+ or dissociation, a fact which we explain in terms of the increased range of the attractive forces when the H+2 bond is extended. This effect is not properly described by comparison collinear calculations.

Trajectory calculation of the effectiveness of reagent vibration in the H+2+He→HeH++H or He+H+H+ reactions

An experimental study of proton and deuteron transfer in H+2 + He and HD+ + He has been carried out as a function of kinetic and vibrational energy. The data gives evidence that at lower kinetic energies, the spectator stripping mechanism indeed plays an important role when H+2 or HD+ is vibrationally excited. The H+2 (v=0) reaction has a much smaller cross section than the v=1–4 reactions and seems to go through intimate, small impact parameter collisions involving all the atoms. Investigation of the competition between both the proton and deuteron transfer channels for the HD+ case, shows that vibrational enhancement towards forming the HeD+ product falls off sooner with increasing kinetic energy than does the HeH+ product again in accordance with the spectator stripping model. The higher yield for HeH+ production at both higher vibrational levels of HD+ and at lower kinetic energy and the behavior of translational energy dependence of HeH+ seems to indicate the importance of the induced orientation of ...

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THE EFFECTS OF COLLISION ENERGY AND VIBRATIONAL EXCITATION ON H+2, HD+ + He REACTIONS

Product angular and velocity vector distributions have been measured in a crossed beam experiment for the charge transfer process Ar++H2→Ar+H2+ at relative collision energies of 0.13, 0.48, and 3.44 eV. Charge transfer was found to occur by two distinct mechanisms: (1) a simple electron‐jump mechanism which preserves the quasirectilinear trajectories of the colliding species and which selectively produces H2+ in the vibrational state most nearly resonant with the reactant ion, and (2) an intimate‐collision mechanism which results in large‐angle scattering and which produces H2+ in a broad range of vibrational states.

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Kinematics of charge transfer: Ar++H2

Observation of the infrared spectrum of the helium-hydride molecular ion

Dynamics of the reaction H2+(He; H)HeH+. Comparison of beam experiments with quasi-classical trajectory studies

Dissociation of H 2 + molecular ions by He atoms was investigated experimentally (crossed-beam technique) and theoretically (quasi-classical 3 D

V. Pacák

Papers

Dynamics of the reaction H2+(He; H)HeH+. Comparison of beam experiments with quasi-classical trajectory studies

Dissociation in collisions of H2+ with He in the eV region. Crossed-beam experiments and quasi-classical trajectory calculations

Dynamics of the reaction H+2(He,H)HeH+. Endoergic channels with H+2 in ν = 0,1 vibrational states: beam experiment and trajectory calculations

Crossed beam study of charge transfer of Ar+ with NO

Production of A H2+ beam in selected vibrational states