Combined orbital tomography study of multi-configurational molecular adsorbate systems

The shape and energy of frontier orbitals determine the reactivity of molecular systems. Combining orbital tomography based on photoelectron spectroscopy with electron diffraction and DFT, the authors investigate a complex multi-configurational adsorbate system revealing adsorptions geometries and h...

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Autores principales: Pavel Kliuiev, Giovanni Zamborlini, Matteo Jugovac, Yeliz Gurdal, Karin von Arx, Kay Waltar, Stephan Schnidrig, Roger Alberto, Marcella Iannuzzi, Vitaliy Feyer, Matthias Hengsberger, Jürg Osterwalder, Luca Castiglioni
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Lenguaje:EN
Publicado: Nature Portfolio 2019
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Acceso en línea:https://doaj.org/article/9c6acef157d04c01b215386f6d090b09
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spelling oai:doaj.org-article:9c6acef157d04c01b215386f6d090b092021-12-02T14:39:57ZCombined orbital tomography study of multi-configurational molecular adsorbate systems10.1038/s41467-019-13254-72041-1723https://doaj.org/article/9c6acef157d04c01b215386f6d090b092019-11-01T00:00:00Zhttps://doi.org/10.1038/s41467-019-13254-7https://doaj.org/toc/2041-1723The shape and energy of frontier orbitals determine the reactivity of molecular systems. Combining orbital tomography based on photoelectron spectroscopy with electron diffraction and DFT, the authors investigate a complex multi-configurational adsorbate system revealing adsorptions geometries and hierarchy and geometry of molecular orbitals.Pavel KliuievGiovanni ZamborliniMatteo JugovacYeliz GurdalKarin von ArxKay WaltarStephan SchnidrigRoger AlbertoMarcella IannuzziVitaliy FeyerMatthias HengsbergerJürg OsterwalderLuca CastiglioniNature PortfolioarticleScienceQENNature Communications, Vol 10, Iss 1, Pp 1-6 (2019)
institution DOAJ
collection DOAJ
language EN
topic Science
Q
spellingShingle Science
Q
Pavel Kliuiev
Giovanni Zamborlini
Matteo Jugovac
Yeliz Gurdal
Karin von Arx
Kay Waltar
Stephan Schnidrig
Roger Alberto
Marcella Iannuzzi
Vitaliy Feyer
Matthias Hengsberger
Jürg Osterwalder
Luca Castiglioni
Combined orbital tomography study of multi-configurational molecular adsorbate systems
description The shape and energy of frontier orbitals determine the reactivity of molecular systems. Combining orbital tomography based on photoelectron spectroscopy with electron diffraction and DFT, the authors investigate a complex multi-configurational adsorbate system revealing adsorptions geometries and hierarchy and geometry of molecular orbitals.
format article
author Pavel Kliuiev
Giovanni Zamborlini
Matteo Jugovac
Yeliz Gurdal
Karin von Arx
Kay Waltar
Stephan Schnidrig
Roger Alberto
Marcella Iannuzzi
Vitaliy Feyer
Matthias Hengsberger
Jürg Osterwalder
Luca Castiglioni
author_facet Pavel Kliuiev
Giovanni Zamborlini
Matteo Jugovac
Yeliz Gurdal
Karin von Arx
Kay Waltar
Stephan Schnidrig
Roger Alberto
Marcella Iannuzzi
Vitaliy Feyer
Matthias Hengsberger
Jürg Osterwalder
Luca Castiglioni
author_sort Pavel Kliuiev
title Combined orbital tomography study of multi-configurational molecular adsorbate systems
title_short Combined orbital tomography study of multi-configurational molecular adsorbate systems
title_full Combined orbital tomography study of multi-configurational molecular adsorbate systems
title_fullStr Combined orbital tomography study of multi-configurational molecular adsorbate systems
title_full_unstemmed Combined orbital tomography study of multi-configurational molecular adsorbate systems
title_sort combined orbital tomography study of multi-configurational molecular adsorbate systems
publisher Nature Portfolio
publishDate 2019
url https://doaj.org/article/9c6acef157d04c01b215386f6d090b09
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