Differential cross sections from quantum calculations on coupled ab initio potential energy surfaces and scattering experiments for Cl(2P)+H2 reactions
| Autor: | Balucani, N., Skouteris, D., LAURA CARTECHINI, Capozza, G., Segoloni, E., Casavecchia, P., Alexander, M. H., Capecchi, G., Werner, H-J |
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| Přispěvatelé: | Balucani, N., Skouteris, Dimitrio, Cartechini, L., Capozza, G., Segoloni, E., Casavecchia, P., Alexander, M. H., Capecchi, G., Werner, H. |
| Jazyk: | angličtina |
| Rok vydání: | 2003 |
| Předmět: | |
| Zdroj: | ResearcherID Physical review letters 91 (2003). info:cnr-pdr/source/autori:Balucani N. (2), Skouteris D. (2), Cartechini L. (1), Capozza G. (2), Segoloni E. (2), Casavecchia P. (2), Alexander M.H. (3), Capecchi G. (4), Werner H.J.(4)/titolo:Differential cross sections from quantum calculations on coupled ab initio potential energy surfaces and scattering experiments for Cl(2P)+H2 reactions/doi:/rivista:Physical review letters (Print)/anno:2003/pagina_da:/pagina_a:/intervallo_pagine:/volume:91 |
| Popis: | 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. |
| Databáze: | OpenAIRE |
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