Abstract
The dynamics of collinear collisions of F with D2(n 1a=0) have been studied using standard quasiclassical trajectory and classical S-matrix (semiclassical) techniques for collision energies ranging from 0.65 to 5.50 kcal mole-1 in the center-of-mass system. The results are compared to previous quantum mechanical calculations on the same potential energy surface. At most only three transitions (NR 0→0, R 0→3, and R 0→4) are "classically allowed" at any energy studied. Of these, the only transition for which the "uniform semiclassical" and quasiclassical results are significantly different is R 0→4. The predicted energy dependence of this transition is discussed in terms of recent experimental determinations of the relative rates of R 0→4 and R 0→3. The "classically forbidden" R 0-2 transition is predicted (using the complex-valued trajectory method) to have a probability which exhibits distinct oscillations as a function of collision energy.
Original language | English |
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Pages (from-to) | 4630-4635 |
Number of pages | 6 |
Journal | The Journal of Chemical Physics |
Volume | 61 |
Issue number | 11 |
DOIs | |
Publication status | Published - 1974 |
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry