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Dr. Russell Cooper, Dr. Christof Bartels, Dr. Alexander Kandratsenka, Prof. Igor Rahinov, Dr. Neil Shenvi, Kai Golibrzuch, Zhisheng Li, Prof. Daniel J. Auerbach, Prof. John C. Tully and Prof. Alec M. Wodtke 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

Version of Record online: 4 APR 2012 | DOI: 10.1002/anie.201201168

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Surface phenomena: Measurements of absolute probabilities are reported for the vibrational excitation of NO(v=0[RIGHTWARDS ARROW]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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