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.; Auerbach, D. J.; Tully, J.; Wodtke, A. M.

doi:10.1002/anie.201201168

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Journal Article

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

MPS-Authors

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Cooper, R. J.
Department of Dynamics at Surfaces, MPI for biophysical chemistry, Max Planck Society;

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Bartels, C.
Department of Dynamics at Surfaces, MPI for biophysical chemistry, Max Planck Society;

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Kandratsenka, A.
Research Group of Reaction Dynamics, MPI for biophysical chemistry, Max Planck Society;

/persons/resource/persons41359

Auerbach, D. J.
Department of Dynamics at Surfaces, MPI for biophysical chemistry, Max Planck Society;

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Wodtke, A. M.
Department of Dynamics at Surfaces, MPI for biophysical chemistry, Max Planck Society;

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http://onlinelibrary.wiley.com/doi/10.1002/anie.201201168/pdf
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Supplementary Material (public)

1477756_sm.pdf
(Supplementary material), 323KB

Citation

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.

Cite as: https://hdl.handle.net/11858/00-001M-0000-000F-9C0B-F

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).