Valence electronic structure of ruthenium based complexes probed by photoelectron spectroscopy at high kinetic energy (HIKE) and modeled by DFT calculations

Research output: Contribution to journalArticle


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. (C) 2008 Elsevier B.V. All rights reserved.


  • Erik Johansson
  • M. Odelius
  • M. Gorgoi
  • O. Karis
  • R. Ovsyannikov
  • F. Schafers
  • S. Svensson
  • H. Siegbahn
  • H. Rensmo
Research areas and keywords

Subject classification (UKÄ) – MANDATORY

  • Atom and Molecular Physics and Optics
Original languageEnglish
Pages (from-to)192-197
JournalChemical Physics Letters
Issue number4-6
Publication statusPublished - 2008
Publication categoryResearch

Bibliographic note

The information about affiliations in this record was updated in December 2015. The record was previously connected to the following departments: Chemical Physics (S) (011001060)