Electronic Structure of Yttrium and Carbon Atoms Encapsulated Metallofullerenes, Y sub(2)C sub(2) sub(82): Ultraviolet Photoelectron Spectroscopy and Theoretical Calculation

Ultraviolet photoelectron spectra (UPS) of two yttrium atoms and two carbon atoms encapsulated metallofullerenes, Y sub(2)C sub(2) sub(82) were measured using a synchrotron radiation light source. Their upper valence band UPS differ significantly from each other, while the lower valence band ones are almost the same. The UPS of Y sub(2)C sub(2) sub(82) (II) could be well reproduced by simulated spectra obtained with a Gaussian 03 program module assuming a distorted Y sub(2)C sub(2) tetragonal form in C sub(2) sub(v) C sub(82) cage structure.