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Proof for trivalent Sc ions in Sc2@C84 from high-energy spectroscopy

By T. Pichler, C. Grazioli, S. Legner, M. Knupfer, M.S. Golden, J. Fink, F.M.F. de Groot, M.R.C. Hunt, Petra Rudolf and R. Follath


The electronic structure and the valency of the Sc ions in the endohedral dimetallofullerene Sc 2 @C 84 with\ud D 2d symmetry are probed using high-energy spectroscopy. Comparison of the Sc 2p ! 3d x-ray-absorption\ud spectrum with calculated ionic multiplet spectra shows that the Sc ions are trivalent. Detailed multiplet calcu-lations\ud including covalency indicate that the effective valency of the Sc~III! ions can be described by a formal\ud charge transfer to the fullerene cage of 2.660.1. This illustrates that a purely ionic picture is not valid for the\ud electronic structure of Sc 2 @C 84 , and that a more complex picture including finite hybridization between the Sc\ud and the fullerene cage has to be applied

Topics: Scheikunde
Year: 2000
OAI identifier: oai:dspace.library.uu.nl:1874/1112

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