TY - JOUR
T1 - Steric hindrance can be probed via the dependence of the reactivity on reagent rotation
T2 - O+HCl
AU - Kornweitz, H.
AU - Persky, A.
AU - Schechter, I.
AU - Levine, R. D.
N1 - Copyright:
Copyright 2018 Elsevier B.V., All rights reserved.
PY - 1990/6/22
Y1 - 1990/6/22
N2 - Kinematic considerations imply that the steric hindrance due to a "bulky" group can be directly probed using rotationally excited reactants. At typical collision and angular velocities, a shadow due to the bulky group restricts entry into the cone of acceptance for rotationally excited reactants. The conclusion is discussed for the realistic case where the anisotropy of the long range potential can reorient the incoming trajectories. Exact and approximate (reactant jz conserving) classical trajectory computations for the O+HCl and O+DCl reactions, on two different potential energy surfaces are used as an illustration.
AB - Kinematic considerations imply that the steric hindrance due to a "bulky" group can be directly probed using rotationally excited reactants. At typical collision and angular velocities, a shadow due to the bulky group restricts entry into the cone of acceptance for rotationally excited reactants. The conclusion is discussed for the realistic case where the anisotropy of the long range potential can reorient the incoming trajectories. Exact and approximate (reactant jz conserving) classical trajectory computations for the O+HCl and O+DCl reactions, on two different potential energy surfaces are used as an illustration.
UR - http://www.scopus.com/inward/record.url?scp=0009748869&partnerID=8YFLogxK
U2 - 10.1016/0009-2614(90)85636-Q
DO - 10.1016/0009-2614(90)85636-Q
M3 - 文章
AN - SCOPUS:0009748869
VL - 169
SP - 489
EP - 496
JO - Chemical Physics Letters
JF - Chemical Physics Letters
SN - 0009-2614
IS - 6
ER -