Abstract
Ultraviolet photoelectron spectra (UPS) of Erbium endohedral fullerene Er@C 82 (I) were measured using a synchrotron radiation light source. The spectral onset of Er@C 82 (I) was 0.4 eV, which is smaller than those of divalent atom endohedral metallofullerenes and analogous to those of trivalent atom endohedral metallofullerenes. The upper valence structure ( E b < 5 eV) of Er@C 82 (I) was almost identical with those of C 2v-Tb@C 82 and C 2v-La@C 82. The oxidation states of Er in Er@C 82 from the analogy of the oxidation state of Tb in Tb@C 82 and La in La@C 82 is estimated to be +3. The UPS of Er@C 82 (I) differs from those of Tm@C 82 isomers. The reason of the difference is attributed to differences in their cage structures and oxidation states. The upper valence UPS of Er@C 82 (I) could be well reproduced by a simulated spectrum obtained with a Gaussian03 program module assuming C 82–C 2v cage structure with three additional electrons.
Published Version
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