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Vibrational excitation of adsorbed molecules by photoelectrons of very low energy: acrylonitrile on Cu (100)

J Tornero, H.H Telle, G García, A. González Ureña, Helmut Telle

Physical Chemistry Chemical Physics, Volume: 13, Issue: 18

Swansea University Author: Helmut Telle

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DOI (Published version): 10.1039/c0cp01869d

Abstract

In this study, we report on a powerful method of primary photoelectron scattering by adsorbed species. Specifically, threshold-energy (E<sub>kin,max</sub> < 0.5 eV) two-photon photoelectrons (2PPE) are used to probe acrylonitrile (ACN) molecules chemisorbed onto a Cu(100) substrate, h...

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Published in: Physical Chemistry Chemical Physics
ISSN: 1463-9076 1463-9084
Published: 2011
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URI: https://cronfa.swan.ac.uk/Record/cronfa7172
first_indexed 2013-07-23T11:57:28Z
last_indexed 2019-06-13T19:05:06Z
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spelling 2019-06-13T17:51:10.9094445 v2 7172 2012-02-23 Vibrational excitation of adsorbed molecules by photoelectrons of very low energy: acrylonitrile on Cu (100) 7f645d598f0afb573309bc5f86ea46fa Helmut Telle Helmut Telle true false 2012-02-23 In this study, we report on a powerful method of primary photoelectron scattering by adsorbed species. Specifically, threshold-energy (E<sub>kin,max</sub> < 0.5 eV) two-photon photoelectrons (2PPE) are used to probe acrylonitrile (ACN) molecules chemisorbed onto a Cu(100) substrate, held at room temperature. This has proven to constitute a perfect tool to reveal the ACN vibrational modes in the chemisorbed state. From the dynamics of the directional (perpendicular to the copper surface) electron energy loss we conclude that only a few fundamental vibrational motions of adsorbed ACN are excited, namely the C=C, C<triple-bond>N and C–H stretch modes. From the excitation probability spectra threshold energies, Eth, of these modes was extracted: E<sub>th</sub>(C=C) = 182(15) meV, E<sub>th</sub>(C<triple-bond>N) = 248(16) meV – which are shifted noticeably from the equivalent gas phase values; and E<sub>th</sub>(C–H) ~ 360–380 meV – which varies only marginally from the gas phase value. The interpretation of the excitation spectra suggests that the di-sigma adsorption configuration of the terminal C- and N-atoms dominates, which agrees well with the orientation and bindings predicted in Density Functional Theory (DFT) calculations. Consistent with this is the observation that the contribution to the 2PPE excitation spectra from the C–H stretch motion is by far the largest, which are not directly affected by chemisorption bonding. Journal Article Physical Chemistry Chemical Physics 13 18 1463-9076 1463-9084 14 3 2011 2011-03-14 10.1039/c0cp01869d COLLEGE NANME COLLEGE CODE Swansea University 2019-06-13T17:51:10.9094445 2012-02-23T17:01:47.0000000 Faculty of Science and Engineering School of Biosciences, Geography and Physics - Physics J Tornero 1 H.H Telle 2 G García 3 A. González Ureña 4 Helmut Telle 5
title Vibrational excitation of adsorbed molecules by photoelectrons of very low energy: acrylonitrile on Cu (100)
spellingShingle Vibrational excitation of adsorbed molecules by photoelectrons of very low energy: acrylonitrile on Cu (100)
Helmut Telle
title_short Vibrational excitation of adsorbed molecules by photoelectrons of very low energy: acrylonitrile on Cu (100)
title_full Vibrational excitation of adsorbed molecules by photoelectrons of very low energy: acrylonitrile on Cu (100)
title_fullStr Vibrational excitation of adsorbed molecules by photoelectrons of very low energy: acrylonitrile on Cu (100)
title_full_unstemmed Vibrational excitation of adsorbed molecules by photoelectrons of very low energy: acrylonitrile on Cu (100)
title_sort Vibrational excitation of adsorbed molecules by photoelectrons of very low energy: acrylonitrile on Cu (100)
author_id_str_mv 7f645d598f0afb573309bc5f86ea46fa
author_id_fullname_str_mv 7f645d598f0afb573309bc5f86ea46fa_***_Helmut Telle
author Helmut Telle
author2 J Tornero
H.H Telle
G García
A. González Ureña
Helmut Telle
format Journal article
container_title Physical Chemistry Chemical Physics
container_volume 13
container_issue 18
publishDate 2011
institution Swansea University
issn 1463-9076
1463-9084
doi_str_mv 10.1039/c0cp01869d
college_str Faculty of Science and Engineering
hierarchytype
hierarchy_top_id facultyofscienceandengineering
hierarchy_top_title Faculty of Science and Engineering
hierarchy_parent_id facultyofscienceandengineering
hierarchy_parent_title Faculty of Science and Engineering
department_str School of Biosciences, Geography and Physics - Physics{{{_:::_}}}Faculty of Science and Engineering{{{_:::_}}}School of Biosciences, Geography and Physics - Physics
document_store_str 0
active_str 0
description In this study, we report on a powerful method of primary photoelectron scattering by adsorbed species. Specifically, threshold-energy (E<sub>kin,max</sub> < 0.5 eV) two-photon photoelectrons (2PPE) are used to probe acrylonitrile (ACN) molecules chemisorbed onto a Cu(100) substrate, held at room temperature. This has proven to constitute a perfect tool to reveal the ACN vibrational modes in the chemisorbed state. From the dynamics of the directional (perpendicular to the copper surface) electron energy loss we conclude that only a few fundamental vibrational motions of adsorbed ACN are excited, namely the C=C, C<triple-bond>N and C–H stretch modes. From the excitation probability spectra threshold energies, Eth, of these modes was extracted: E<sub>th</sub>(C=C) = 182(15) meV, E<sub>th</sub>(C<triple-bond>N) = 248(16) meV – which are shifted noticeably from the equivalent gas phase values; and E<sub>th</sub>(C–H) ~ 360–380 meV – which varies only marginally from the gas phase value. The interpretation of the excitation spectra suggests that the di-sigma adsorption configuration of the terminal C- and N-atoms dominates, which agrees well with the orientation and bindings predicted in Density Functional Theory (DFT) calculations. Consistent with this is the observation that the contribution to the 2PPE excitation spectra from the C–H stretch motion is by far the largest, which are not directly affected by chemisorption bonding.
published_date 2011-03-14T03:13:20Z
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score 11.089718

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