Direct dynamics of F CCl3Br reactive scattering

Autor: Jarvis, R. D., Firth, N. C., Smith, D. J., Grice, R.
Zdroj: Molecular Physics; June 1993, Vol. 79 Issue: 2 p323-330, 8p
Abstrakt: Reactive scattering of F atoms with CCl3Br molecules has been studied at an initial translation energy E ∼ 38 kJ mol-1, using a supersonic beam of F atoms seeded in He buffer gas, and at E ∼ 12 kJ mol-1 using Ne buffer gas. At high collision energy the centre-of-mass differential cross-section peaks sharply in the forward direction with much lower intensity in the backward hemisphere. The product translational energy is higher for scattering in the forward direction than for scattering in the sideways and backward directions. At low collision energy, the differential cross-section favours the forward hemisphere, but without any sharp forward peaking, and the product translational energy distribution shows little dependence on scattering angle. The reactive scattering shows good general agreement with the DIPR model for direct reaction dynamics with repulsion in the exit valley of the potential energy surface. The lack of evidence for a significant potential energy well on the surface is attributed to reduced charge transfer interaction of the form CCl3Br+F- compared with the alkyl iodide reactions, which exhibit long-lived collision dynamics.
Databáze: Supplemental Index