Differential cross sections from quantum calculations on coupled Ab initio potential energy surfaces and scattering experiments for Cl(2P)+H2 reactions.
To assess the relative reactivity of the spin-orbit excited state of atomic Cl with molecular hydrogen, we have measured differential cross sections using an atomic Cl beam with a known concentration of the ground and excited spin-orbit states. These are compared with the first determination of the cross sections from quantum mechanical scattering calculations on a set of coupled ab initio potential energy surfaces. The comparison suggests that these surfaces may underestimate the degree of rotational excitation of the HCl products and that the excited spin-orbit state plays a minor role in the reaction.
Balucani
N
N
Dipartimento di Chimica, Università di Perugia, 06123 Perugia, Italy.
Skouteris
D
D
Cartechini
L
L
Capozza
G
G
Segoloni
E
E
Casavecchia
P
P
Alexander
M H
MH
Capecchi
G
G
Werner
H-J
HJ