Electronic structure of TDAE-C60 complex

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

doi:10.1021/jp970192t

Electronic structure of TDAE-C₆₀ complex

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

Research output: Contribution to journal › Article › peer-review

34 Citations (Scopus)

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.

Original language	English
Pages (from-to)	4346-4350
Number of pages	5
Journal	Journal of Physical Chemistry A
Volume	101
Issue number	24
DOIs	https://doi.org/10.1021/jp970192t
Publication status	Published - Jun 12 1997
Externally published	Yes

All Science Journal Classification (ASJC) codes

Physical and Theoretical Chemistry

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10.1021/jp970192t

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@article{0e06ada05c84448393d4930424282e0d,

title = "Electronic structure of TDAE-C60 complex",

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.",

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

year = "1997",

month = jun,

day = "12",

doi = "10.1021/jp970192t",

language = "English",

volume = "101",

pages = "4346--4350",

journal = "Journal of Physical Chemistry A",

issn = "1089-5639",

publisher = "ACS Publications",

number = "24",

}

TY - JOUR

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

PY - 1997/6/12

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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U2 - 10.1021/jp970192t

DO - 10.1021/jp970192t

M3 - Article

AN - SCOPUS:0011261251

SN - 1089-5639

VL - 101

SP - 4346

EP - 4350

JO - Journal of Physical Chemistry A

JF - Journal of Physical Chemistry A

IS - 24

ER -

Electronic structure of TDAE-C₆₀ complex

Abstract

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