Differential cross sections from quantum calculations on coupled ab initio potential energy surfaces and scattering experiments for Cl(2P)+H2 reactions

Balucani, N.; Skouteris, D.; Cartechini, L.; Capozza, G.; Segoloni, E.; Casavecchia, P.; Alexander, M.H.; Capecchi, G.; Werner, H.

doi:10.1103/PhysRevLett.91.013201

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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.

Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/11384/14820

Titolo:	Differential cross sections from quantum calculations on coupled ab initio potential energy surfaces and scattering experiments for Cl(2P)+H2 reactions
Autori interni:	SKOUTERIS, Dimitrios
Data di pubblicazione:	2003
Rivista:	PHYSICAL REVIEW LETTERS
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.
Handle:	http://hdl.handle.net/11384/14820
Appare nelle tipologie:	1.1 Articolo in rivista

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