The exoergic Eley-Rideal hydrogen recombination on graphite surfaces is known to produce vibrationally hot product molecules. Realistic quantum scattering calculations at normal incidence over a wide range of collision energies show that the degree of vibrational excitation of the reaction product is a steep decreasing function of the collision energy. This results in selective population of the lower-lying vibrational levels and gives rise to an oscillating structure in the total reaction cross-sections at high energies, which cannot be reproduced by classical and quasi-classical trajectory calculations. An analogous quantum structure appears in the total collision-induced desorption cross-sections and is assigned to selective population of the metastable states of the transient molecular hydrogen

Quantum effects in an exoergic, barrierless reaction at high collision energies / R. Martinazzo, G. F. Tantardini. - In: JOURNAL OF PHYSICAL CHEMISTRY. A, MOLECULES, SPECTROSCOPY, KINETICS, ENVIRONMENT, & GENERAL THEORY. - ISSN 1089-5639. - 109:42(2005 Oct 05), pp. 9379-9383.

Quantum effects in an exoergic, barrierless reaction at high collision energies

R. Martinazzo
Primo
;
G. F. Tantardini
Ultimo
2005-10-05

Abstract

The exoergic Eley-Rideal hydrogen recombination on graphite surfaces is known to produce vibrationally hot product molecules. Realistic quantum scattering calculations at normal incidence over a wide range of collision energies show that the degree of vibrational excitation of the reaction product is a steep decreasing function of the collision energy. This results in selective population of the lower-lying vibrational levels and gives rise to an oscillating structure in the total reaction cross-sections at high energies, which cannot be reproduced by classical and quasi-classical trajectory calculations. An analogous quantum structure appears in the total collision-induced desorption cross-sections and is assigned to selective population of the metastable states of the transient molecular hydrogen
Settore CHIM/02 - Chimica Fisica
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Utilizza questo identificativo per citare o creare un link a questo documento: http://hdl.handle.net/2434/13761
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