Molecular Crystals and Liquid Crystals Science and Technology. Section A. Molecular Crystals and Liquid Crystals, Vol.267, 347-352, 1995
Local Bond Structure of Yttrium in the Metallofullerene Yc82
Extended X-ray absorption fine structure measurement was performed using the sample containing only YC82 as a metallofullerene. The spectrum measured on the K-edge of the Y showed that a Y atom has two neighboring carbons at distance of 2.41 Angstrom. This suggests that the Y atom is located on the double bond of the carbon cage. This bond structure corresponds to one of the stable candidates predicted by molecular orbital calculation, which accounts for the charge transfer interaction in Y(3+)C82(3-) as has already been confirmed by ESR measurements.
Keywords:X-RAY ABSORPTION;FINE-STRUCTURE SPECTROSCOPY;ABINITIO CALCULATIONS;PHASE FUNCTIONS;AMPLITUDE;METALS;EXAFS;C82