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

Cooper, R. J., Bartels, C., Kandratsenka, A., Rahinov, I., Shenvi, N., Li, Z., et al. (2012). Multiquantum vibrational excitation of NO scattered from Au(111): quantitative comparison of benchmark data to Ab initio theories of nonadiabatic molecule-surface interactions. Angewandte Chemie International Edition, 51(20), 4954-4958. doi:10.1002/anie.201201168.

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Item Permalink: https://hdl.handle.net/11858/00-001M-0000-000F-9C0B-F Version Permalink: https://hdl.handle.net/11858/00-001M-0000-0027-CE08-2
Genre: Journal Article

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 Creators:
Cooper, R. J.1, Author           
Bartels, C.1, Author           
Kandratsenka, A.2, Author           
Rahinov, I., Author
Shenvi, N., Author
Li , Z., Author
Auerbach, D. J.1, Author           
Tully, J., Author
Wodtke, A. M.1, Author           
Affiliations:
1Department of Dynamics at Surfaces, MPI for biophysical chemistry, Max Planck Society, ou_578600              
2Research Group of Reaction Dynamics, MPI for biophysical chemistry, Max Planck Society, ou_578601              

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Free keywords: Ab initio calculations; molecular beams; surface chemistry; surface scattering
 Abstract: 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; Ts=surface temperature, P=excitation probability, and E=incidence energy of translation).

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Language(s): eng - English
 Dates: 2012-04-042012-05-14
 Publication Status: Issued
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 Rev. Type: Peer
 Identifiers: DOI: 10.1002/anie.201201168
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Title: Angewandte Chemie International Edition
Source Genre: Journal
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Pages: - Volume / Issue: 51 (20) Sequence Number: - Start / End Page: 4954 - 4958 Identifier: -