Abstract
The wavepacket dynamics in the full reaction of CF 3 H + Ar( 3 P) → CF 3 ∗ + H + Ar was simulated by solving a coupled time-dependent Schrödinger equation for the CF 3-end and the H-end orientations. A clear interference feature for the density current in the dissociation process has been confirmed only when the Ar( 3P) atom attacks at the H-end of the molecule, which could be regarded as a one atom cage effect in full scattering. The total reaction probability for the CF 3-end orientation was calculated to be about 10 4 times more preferable than that for the H-end orientation with good agreement with experiment.
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