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Strong rotational effects in the adsorption dynamics of H2/Pd(111): evidence for dynamical steering

โœ Scribed by Michael Beutl; Manfred Riedler; Klaus D. Rendulic

Publisher
Elsevier Science
Year
1995
Tongue
English
Weight
323 KB
Volume
247
Category
Article
ISSN
0009-2614

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โœฆ Synopsis

We have used seeded beam techniques to determine the influence of the rotational energy of hydrogen and deuterium molecules on the adsorption dynamics. A strong decrease of sticking with increasing rotational energy has been observed. In the low translational energy regime where the sticking coefficient decreases with beam energy the strongest effects are encountered. This result points to the importance of dynamical steering rather than to adsorption via a classical molecular precursor. Because rotational energy is quantized, clear isotope effects between hydrogen and deuterium can be observed.

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Effect of orbital and rotational angular
Effect of orbital and rotational angular momentum averaging on branching ratios of dynamical resonances in the reaction H+p-H2โ†’o-H2+H
โœ Mirjana Mladenovic; Meishan Zhao; Donald G. Truhlar; David W. Schwenke; Yan Sun; ๐Ÿ“‚ Article ๐Ÿ“… 1988 ๐Ÿ› Elsevier Science ๐ŸŒ English โš– 498 KB

We report extensive quantum mechanical calculations of the product vibrational branching ratios in the title reaction. The calculations involve total angular momenta up to 2 and excited as well as ground initial rotational states, and they are completely converged with up to 513 channels in individu