Quasi-classical trajectory study of the F + C[D.sub.4] reaction dynamics

An analytical potential energy surface (PES-2006) was developed and quasi-classical trajectory (QCT) calculations were used to analyze the F + C[D.sub.4] gas-phase abstraction reaction. The state-specific scattering distributions at different collision energies were found to reproduce the experimental behavior with a clear propensity toward forward scattering.