title: Differential cross sections from quantum calculations on coupled Ab initio potential energy surfaces and scattering experiments for Cl(2P)+H2 reactions.
abstract: 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.
authors.affiliation: Dipartimento di Chimica, Università di Perugia, 06123 Perugia, Italy.
authors.forename: N
authors.initials: N
authors.lastname: Balucani
authors.forename: D
authors.initials: D
authors.lastname: Skouteris
authors.forename: L
authors.initials: L
authors.lastname: Cartechini
authors.forename: G
authors.initials: G
authors.lastname: Capozza
authors.forename: E
authors.initials: E
authors.lastname: Segoloni
authors.forename: P
authors.initials: P
authors.lastname: Casavecchia
authors.forename: M H
authors.initials: MH
authors.lastname: Alexander
authors.forename: G
authors.initials: G
authors.lastname: Capecchi
authors.forename: H-J
authors.initials: HJ
authors.lastname: Werner