Electronic structure of TDAE-C60 complex

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

研究成果: ジャーナルへの寄稿記事

33 引用 (Scopus)

抄録

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.

元の言語英語
ページ(範囲)4346-4350
ページ数5
ジャーナルJournal of Physical Chemistry A
101
発行部数24
出版物ステータス出版済み - 6 12 1997
外部発表Yes

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Electronic structure
electronic structure
Charge density waves
X rays
Orbital calculations
Molecular orbitals
Photoelectrons
Fermi level
Binding energy
nitrogen atoms
Charge transfer
Electrostatics
molecular orbitals
photoelectrons
ethylene
x rays
Nitrogen
binding energy
charge transfer
Irradiation

All Science Journal Classification (ASJC) codes

  • Physical and Theoretical Chemistry

これを引用

Hino, S., Umishita, K., Iwasaki, K., Tanaka, K., Sato, T., Yamabe, T., ... Okahara, K. (1997). Electronic structure of TDAE-C60 complex. Journal of Physical Chemistry A, 101(24), 4346-4350.

Electronic structure of TDAE-C60 complex. / Hino, Shojun; Umishita, Kazunori; Iwasaki, Kentaro; Tanaka, Kazuyoshi; Sato, Tohru; Yamabe, Tokio; Yoshizawa, Kazunari; Okahara, Kenji.

:: Journal of Physical Chemistry A, 巻 101, 番号 24, 12.06.1997, p. 4346-4350.

研究成果: ジャーナルへの寄稿記事

Hino, S, Umishita, K, Iwasaki, K, Tanaka, K, Sato, T, Yamabe, T, Yoshizawa, K & Okahara, K 1997, 'Electronic structure of TDAE-C60 complex', Journal of Physical Chemistry A, 巻. 101, 番号 24, pp. 4346-4350.
Hino S, Umishita K, Iwasaki K, Tanaka K, Sato T, Yamabe T その他. Electronic structure of TDAE-C60 complex. Journal of Physical Chemistry A. 1997 6 12;101(24):4346-4350.
Hino, Shojun ; Umishita, Kazunori ; Iwasaki, Kentaro ; Tanaka, Kazuyoshi ; Sato, Tohru ; Yamabe, Tokio ; Yoshizawa, Kazunari ; Okahara, Kenji. / Electronic structure of TDAE-C60 complex. :: Journal of Physical Chemistry A. 1997 ; 巻 101, 番号 24. pp. 4346-4350.
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abstract = "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.",
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T1 - Electronic structure of TDAE-C60 complex

AU - Hino, Shojun

AU - Umishita, Kazunori

AU - Iwasaki, Kentaro

AU - Tanaka, Kazuyoshi

AU - Sato, Tohru

AU - Yamabe, Tokio

AU - Yoshizawa, Kazunari

AU - Okahara, Kenji

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Y1 - 1997/6/12

N2 - 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.

AB - 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.

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