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: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

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	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

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10.1002/anie.201201168

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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

@article{3864b17e746c4d62a4b56033d83add23,

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 = "10.1002/anie.201201168",

language = "אנגלית",

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

UR - https://www.scopus.com/pages/publications/84860859037

U2 - 10.1002/anie.201201168

DO - 10.1002/anie.201201168

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C2 - 22488975

AN - SCOPUS:84860859037

SN - 1433-7851

VL - 51

SP - 4954

EP - 4958

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 20

ER -

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

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