Kl. Han et al., EFFECT OF LOCATION OF ENERGY BARRIER ON THE PRODUCT ALIGNMENT OF REACTION A+BC, The Journal of chemical physics, 105(19), 1996, pp. 8699-8704
The trajectory calculations of heavy heavy-light, light light-light, h
eavy light-light, and light heavy-light mass combination reactions on
attractive and repulsive potential surfaces have been carried out to s
tudy the dependence of the product rotational alignment on collision e
nergies; The calculated results for heavy heavy-light mass combination
reaction are compared with the predictions from the constrained produ
ct orbital angular momentum model. The final rotational angular moment
um was found to be perpendicularly polarized with respect to the reage
nts' relative velocity vector on either attractive or repulsive potent
ial surface. There is similar behavior of the product rotational align
ments as a function of collision energies for heavy heavy-light and he
avy light-light reactions, i.e., the more anisotropic the distribution
of the product rotational angular momentum vector is, the higher the
collision energies are, whether the potential surface is attractive or
repulsive. However, the calculations for light light-light mass combi
nation reaction predict that the product rotational alignments depend
strongly on collision energies for an attractive potential surface, bu
t this behavior is not observed on the repulsive potential surface. Fo
r light heavy-light mass combination, the product rotational alignment
s hardly depend on collision energies on both potential surfaces. (C)
1996 American Institute of Physics.