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Valence Electronic Structure Of Ruthenium Based Complexes Probed By Photoelectron Spectroscopy At High Kinetic Energy (Hike) And Modeled By Dft Calculations
Uppsala University, Disciplinary Domain of Science and Technology, Physics, Department of Physics and Materials Science, Surface and Interface Science.
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2008 (English)In: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 464, no 4-6, 192-197 p.Article in journal (Refereed) Published
Abstract [en]

The valence electronic structure of a series of molecular films containing ruthenium polypyridine complexes has been investigated by photoelectron spectroscopy (PES) at high kinetic energy (HIKE) using hard X-ray. The experiment shows the possibility to experimentally probe the metal contribution to the valence spectra in a bulk sensitive mode. Specifically to directly follow the Ru 4d contribution to the highest occupied molecular orbitals of such complexes. The experimental spectra are accurately modeled by DFT calculations only if a crystal structure environment is taken into account showing the importance of intermolecular interaction for modeling the electronic structure of such complexes.

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2008. Vol. 464, no 4-6, 192-197 p.
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Other Basic Medicine
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URN: urn:nbn:se:uu:diva-105275DOI: 10.1016/j.cplett.2008.09.016ISI: 000260259000013OAI: oai:DiVA.org:uu-105275DiVA: diva2:220952
Available from: 2009-06-03 Created: 2009-06-03 Last updated: 2017-12-13Bibliographically approved

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Rensmo, Håkan

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