Multiquantum vibrational excitation of NO scattered from Au(111): quantitative comparison of benchmark data to ab initio theories of nonadiabatic molecule-surface interactions.

Authors :: Cooper R
Bartels C
Kandratsenka A
Rahinov I
Shenvi N
Golibrzuch K
Li Z
Auerbach DJ
Tully JC
Wodtke AM
Source :: Angewandte Chemie (International ed. in English) [Angew Chem Int Ed Engl] 2012 May 14; Vol. 51 (20), pp. 4954-8. Date of Electronic Publication: 2012 Apr 04.
Publication Year :: 2012
Abstract: Surface phenomena: measurements of absolute probabilities are reported for the vibrational excitation of NO(v=0→1,2) molecules scattered from a Au(111) surface. These measurements were quantitatively compared to calculations based on ab initio theoretical approaches to electronically nonadiabatic molecule-surface interactions. Good agreement was found between theory and experiment (see picture; T(s) =surface temperature, P=excitation probability, and E=incidence energy of translation).<br /> (Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.)

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