A time-dependent wave packet calculation is carried out for the Sr+HF reaction in three dimensions. The effects of the reagent initial excitation on the total reaction probabilities (final states summed) as a function of collision energy are studied for the v=0, 1 and j<20 states of HF. It is found that the vibrational excitation can enhance effectively the Sr+HF reaction. A detailed study on steric effects for the reaction at zero total angular momentum is also performed. The calculated results show that the F side of the HF molecule is the most favorite side for reactive attacks and the reactivity strongly depends on the attack angle.
ASJC Scopus subject areas
- Physics and Astronomy(all)
- Physical and Theoretical Chemistry