Multiquantum vibrational excitation of NO scattered from Au(111): quantitative comparison of benchmark data to ab initio theories of nonadiabatic molecule-surface interactions |
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| Authors: | Cooper Russell Bartels Christof Kandratsenka Alexander Rahinov Igor Shenvi Neil Golibrzuch Kai Li Zhisheng Auerbach Daniel J Tully John C Wodtke Alec M |
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| Affiliation: | 1. Institute for Physical Chemistry, Georg‐August University of G?ttingen, G?ttingen (Germany);2. Max Planck Institute for Biophysical Chemistry, G?ttingen (Germany);3. Department of Natural Sciences, The Open University of Israel (Israel);4. Department of Chemistry, Duke University (USA);5. Department of Chemistry, Columbia University (USA);6. Department of Chemistry and Biochemistry, University of California Santa Barbara (USA);7. Department of Chemistry, Yale University (USA) |
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| 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). |
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| Keywords: | ab initio calculations molecular beams surface chemistry surface scattering |
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