Combined orbital tomography study of multi-configurational molecular adsorbate systems

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

doi:10.1038/s41467-019-13254-7

Nature Communications (Nov 2019)

Combined orbital tomography study of multi-configurational molecular adsorbate systems

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

Affiliations

Pavel Kliuiev: Department of Physics, University of Zurich
Giovanni Zamborlini: Peter Grünberg Institute (PGI-6), Forschungszentrum Jülich
Matteo Jugovac: Peter Grünberg Institute (PGI-6), Forschungszentrum Jülich
Yeliz Gurdal: Department of Chemistry, University of Zurich
Karin von Arx: Department of Physics, University of Zurich
Kay Waltar: Department of Physics, University of Zurich
Stephan Schnidrig: Department of Chemistry, University of Zurich
Roger Alberto: Department of Chemistry, University of Zurich
Marcella Iannuzzi: Department of Chemistry, University of Zurich
Vitaliy Feyer: Peter Grünberg Institute (PGI-6), Forschungszentrum Jülich
Matthias Hengsberger: Department of Physics, University of Zurich
Jürg Osterwalder: Department of Physics, University of Zurich
Luca Castiglioni: Department of Physics, University of Zurich

DOI: https://doi.org/10.1038/s41467-019-13254-7
Journal volume & issue: Vol. 10, no. 1
pp. 1 – 6

Abstract

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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.

Published in Nature Communications

ISSN: 2041-1723 (Online)
Publisher: Nature Portfolio
Country of publisher: United Kingdom
LCC subjects: Science
Website: https://www.nature.com/ncomms/

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