Multiquantum Vibrational Excitation of NO Scattered from Au(111): Quantitative Comparison of Benchmark Data to Ab Initio Theories of Nonadiabatic Molecule-Surface Interactions

被引：44

作者：

Cooper, Russell ^{[1
]}

Bartels, Christof ^{[1
]}

Kandratsenka, Alexander ^{[1
,2
]}

Rahinov, Igor ^{[3
]}

Shenvi, Neil ^{[4
]}

Golibrzuch, Kai ^{[1
]}

Li, Zhisheng ^{[5
]}

Auerbach, Daniel J. ^{[6
]}

Tully, John C. ^{[7
]}

Wodtke, Alec M. ^{[1
,2
]}

机构：

[1] Univ Gottingen, Inst Phys Chem, D-37077 Gottingen, Germany

[2] Max Planck Inst Biophys Chem, D-37077 Gottingen, Germany

[3] Open Univ Israel, Dept Nat Sci, Raanana, Israel

[4] Duke Univ, Dept Chem, Durham, NC 27706 USA

[5] Columbia Univ, Dept Chem, New York, NY 10027 USA

[6] Univ Calif Santa Barbara, Dept Chem & Biochem, Santa Barbara, CA 93106 USA

[7] Yale Univ, Dept Chem, New Haven, CT 06520 USA

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2012年 / 51卷 / 20期

关键词：

ab initio calculations; molecular beams; surface chemistry; surface scattering; BORN-OPPENHEIMER APPROXIMATION; HOLE PAIR MECHANISM; METAL-SURFACES; ENERGY-TRANSFER; INTRAMOLECULAR VIBRATIONS; COLLISIONS; DYNAMICS; LIFETIMES; CHEMISTRY; EMISSION;

D O I：

10.1002/anie.201201168

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

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). Copyright © 2012 WILEY-VCH Verlag GmbH & Co. KGaA, Weinheim.

引用

页码：4954 / 4958

页数：5

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