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.
|Titolo:||Differential cross sections from quantum calculations on coupled ab initio potential energy surfaces and scattering experiments for Cl(2P)+H2 reactions|
|Data di pubblicazione:||2003|
|Parole Chiave:||reaction dynamics; prototype abstraction reactions; chlorine atom reactions; quantum scattering calculations; coupled potential energy surfaces.|
|Digital Object Identifier (DOI):||http://dx.doi.org/10.1103/PhysRevLett.91.013201|
|Appare nelle tipologie:||1.1 Articolo in rivista|