Ultraviolet photoelectron spectra of Ce2@C80 and La2@C80

Takafumi Miyazaki, Sosuke Okita, Tomona Ohta, Hajime Yagi, Ryohei Sumii, Haruya Okimoto, Yasuhiro Ito, Hisanori Shinohara, Shojun Hino

Research output: Contribution to journalArticle

11 Citations (Scopus)

Abstract

Ultraviolet photoelectron spectra (UPS) of C80-Ih cage endohedral fullerenes, La2@C80 and Ce2@C80 were measured using a synchrotron radiation light source. The spectral onset energy of La2@C80 and Ce2@C80 is around 0.8-0.9 eV, which is smaller than that of empty C80-Ih. The UPS of these endohedral fullerenes are almost identical and are discussed with an aid of density functional theory (DFT) calculation. Simulation spectra calculated with using the results of the DFT calculations on an optimized structure starting from D3d geometry reproduces the UPS of La2@C80 and Ce2@C80 very well, which supports the theoretically proposed structure.

Original languageEnglish
Pages (from-to)71-75
Number of pages5
JournalChemical Physics
Volume447
DOIs
Publication statusPublished - Feb 2 2015
Externally publishedYes

Keywords

  • Electronic structure
  • Endohedral fullerenes
  • La and Ce atoms encapsulated C cage
  • Ultraviolet photoelectron spectroscopy
  • X-ray photoelectron spectroscopy

ASJC Scopus subject areas

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

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