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

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

doi:https://doi.org/10.1002/anie.201201168

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

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

Chemistry discipline

Open University of Israel

Research output: Contribution to journal › Article › peer-review

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).

Original language	American English
Pages (from-to)	4954-4958
Number of pages	5
Journal	Angewandte Chemie - International Edition
Volume	51
Issue number	20
DOIs	https://doi.org/10.1002/anie.201201168
State	Published - 14 May 2012

Keywords

ab initio calculations
molecular beams
surface chemistry
surface scattering

All Science Journal Classification (ASJC) codes

General Chemistry
Catalysis

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https://doi.org/10.1002/anie.201201168

Cite this

Cooper, R., Bartels, C., Kandratsenka, A., Rahinov, I., Shenvi, N., Golibrzuch, K., Li, Z., Auerbach, D. J., Tully, J. C., & Wodtke, A. M. (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. https://doi.org/10.1002/anie.201201168

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title = "Multiquantum vibrational excitation of NO scattered from Au(111): Quantitative comparison of benchmark data to Ab initio theories of nonadiabatic molecule-surface interactions",

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).",

keywords = "ab initio calculations, molecular beams, surface chemistry, surface scattering",

author = "Russell Cooper and Christof Bartels and Alexander Kandratsenka and Igor Rahinov and Neil Shenvi and Kai Golibrzuch and Zhisheng Li and Auerbach, {Daniel J.} and Tully, {John C.} and Wodtke, {Alec M.}",

year = "2012",

month = may,

day = "14",

doi = "https://doi.org/10.1002/anie.201201168",

language = "American English",

volume = "51",

pages = "4954--4958",

journal = "Angewandte Chemie - International Edition",

issn = "1433-7851",

publisher = "John Wiley and Sons Ltd",

number = "20",

}

Cooper, R, Bartels, C, Kandratsenka, A, Rahinov, I, Shenvi, N, Golibrzuch, K, Li, Z, Auerbach, DJ, Tully, JC & Wodtke, AM 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, vol. 51, no. 20, pp. 4954-4958. https://doi.org/10.1002/anie.201201168

Multiquantum vibrational excitation of NO scattered from Au(111): Quantitative comparison of benchmark data to Ab initio theories of nonadiabatic molecule-surface interactions. / Cooper, Russell; Bartels, Christof; Kandratsenka, Alexander et al.
In: Angewandte Chemie - International Edition, Vol. 51, No. 20, 14.05.2012, p. 4954-4958.

Research output: Contribution to journal › Article › peer-review

TY - JOUR

T1 - Multiquantum vibrational excitation of NO scattered from Au(111)

T2 - Quantitative comparison of benchmark data to Ab initio theories of nonadiabatic molecule-surface interactions

AU - Cooper, Russell

AU - Bartels, Christof

AU - Kandratsenka, Alexander

AU - Rahinov, Igor

AU - Shenvi, Neil

AU - Golibrzuch, Kai

AU - Li, Zhisheng

AU - Auerbach, Daniel J.

AU - Tully, John C.

AU - Wodtke, Alec M.

PY - 2012/5/14

Y1 - 2012/5/14

N2 - 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).

AB - 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).

KW - ab initio calculations

KW - molecular beams

KW - surface chemistry

KW - surface scattering

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U2 - https://doi.org/10.1002/anie.201201168

DO - https://doi.org/10.1002/anie.201201168

M3 - Article

C2 - 22488975

SN - 1433-7851

VL - 51

SP - 4954

EP - 4958

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 20

ER -

Cooper R, Bartels C, Kandratsenka A, Rahinov I, Shenvi N, Golibrzuch K et al. 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. 2012 May 14;51(20):4954-4958. doi: https://doi.org/10.1002/anie.201201168

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

Abstract

Keywords

All Science Journal Classification (ASJC) codes

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