Journal
CHEMICAL PHYSICS
Volume 312, Issue 1-3, Pages 39-45Publisher
ELSEVIER SCIENCE BV
DOI: 10.1016/j.chemphys.2004.11.019
Keywords
X-ray absorption spectroscopy; core level spectroscopies; core excitons; valence excitons; aromatic molecules; molecular pi-systems; core-hole screening
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In aromatic molecules characterised by extended pi-systems valence and core excitons can have very similar binding energies. This is shown for a number of compounds, and in each case the core exciton binding energies are analysed in terms of the Coulomb screening and rehybridisation contributions. The latter semiquantitatively explain the binding energy differences between the valence and core excitons. This suggests that core and valence excitons have a similar spatial extent in such systems. In favourable cases core level techniques can thus be used to elucidate valence excited state properties. (c) 2004 Elsevier B.V. All rights reserved.
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