Electronic structure of TDAE-C60 complex

Shojun Hino, Kazunori Umishita, Kentaro Iwasaki, Kazuyoshi Tanaka, Tohru Sato, Tokio Yamabe, Kazunari Yoshizawa, Kenji Okahara

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34 Citations (Scopus)


Ultraviolet and C 1s and N 1s X-ray photoelectron spectra of a ferromagnetic charge-transfer complex, TDAE-C60, where TDAE is tetrakis(dimethylamino)ethylene, have been measured. The appearance of a new peak above the highest occupied band of C60 at 1.2 eV below the Fermi level with a peak onset of 0.5 eV indicates that an electron is transferred from TDAE to C60 and that TDAE-C60 is not metallic but semiconductive. The N 1s core spectrum of the complex shows a wide band consisting of two components, and the intensity of the higher binding energy one decreases under X-ray irradiation. The observed components could be ascribed to nitrogen atoms in TDAE0 and TDAE2+ on the basis of the electrostatic potential model in combination with the CNDO/2 molecular orbital calculation. Possible appearance of the charge density wave state along the TDAE chain in the c-direction of TDAE-C60 crystal has been suggested.

Original languageEnglish
Pages (from-to)4346-4350
Number of pages5
JournalJournal of Physical Chemistry A
Issue number24
Publication statusPublished - Jun 12 1997
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry


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