Electronic Structure of Yttrium and Carbon Atoms EncapsulatedMetallofullerenes, Y2C2@C82: Ultraviolet PhotoelectronSpectroscopy and Theoretical Calculation

摘要

Ultraviolet photoelectron spectra (UPS) of two yttrium atoms and two carbon atoms encapsulated metallofullerenes,Y_2C_2@C_(82)were measured using a synchrotron radiation light source. Their upper valence band UPS differ significantlyfrom each other, while the lower valence band ones are almost the same. The UPS of Y_2C_2@C_(82)(II) could be wellreproduced by simulated spectra obtained with a Gaussian 03 program module assuming a distorted Y_2C_2tetragonal formin C_(2v) C_(82)cage structure.