Ultraviolet photoelectron spectra of mono-metal endohedral fullerene Er@C82 (I)

Takafumi Miyazaki, Ryohei Sumii, Hisashi Umemoto, Haruya Okimoto, Yasuhiro Ito, Toshiki Sugai, Hisanori Shinohara, Shojun Hino

Research output: Contribution to journalArticlepeer-review

10 Citations (Scopus)

Abstract

Ultraviolet photoelectron spectra (UPS) of Erbium endohedral fullerene Er@C82 (I) were measured using a synchrotron radiation light source. The spectral onset of Er@C82 (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@C82 (I) was almost identical with those of C2v-Tb@C82 and C2v-La@C82. The oxidation states of Er in Er@C82 from the analogy of the oxidation state of Tb in Tb@C82 and La in La@C82 is estimated to be +3. The UPS of Er@C82 (I) differs from those of Tm@C82 isomers. The reason of the difference is attributed to differences in their cage structures and oxidation states. The upper valence UPS of Er@C82 (I) could be well reproduced by a simulated spectrum obtained with a Gaussian03 program module assuming C82-C2v cage structure with three additional electrons.

Original languageEnglish
Pages (from-to)11-13
Number of pages3
JournalChemical Physics
Volume378
Issue number1-3
DOIs
Publication statusPublished - Dec 9 2010
Externally publishedYes

Keywords

  • Endohedral metallofullerens
  • Er@C
  • Ultraviolet photoelectron spectroscopy
  • Valence band structure

ASJC Scopus subject areas

  • Physics and Astronomy(all)
  • Physical and Theoretical Chemistry

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