Molecular orbital study on cationic states of triphenylene and 1,3,5-tris(diphenylamino)benzene as a design of charge-transfer organic ferromagnets

Kazunari Yoshizawa, Masashi Hatanaka, Kazuyoshi Tanaka, Tokio Yamabe

研究成果: ジャーナルへの寄稿記事

1 引用 (Scopus)

抄録

For the design of charge-transfer organic ferromagnets, the electronic structures of the neutral, mono-, di- and trications states of triphenylene and 1,3,5-tris(diphenylamino)benzene (TDAB) are studied with the semiempirical PM3-MO method. It is shown that the high-spin states of the di- and trications of TDAB lie below the corresponding low-spin states.

元の言語英語
ページ(範囲)1829-1830
ページ数2
ジャーナルSynthetic Metals
71
発行部数1-3
DOI
出版物ステータス出版済み - 4 1 1995
外部発表Yes

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Molecular orbitals
Benzene
Charge transfer
molecular orbitals
benzene
charge transfer
Electronic structure
electronic structure
triphenylene

All Science Journal Classification (ASJC) codes

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

これを引用

Molecular orbital study on cationic states of triphenylene and 1,3,5-tris(diphenylamino)benzene as a design of charge-transfer organic ferromagnets. / Yoshizawa, Kazunari; Hatanaka, Masashi; Tanaka, Kazuyoshi; Yamabe, Tokio.

:: Synthetic Metals, 巻 71, 番号 1-3, 01.04.1995, p. 1829-1830.

研究成果: ジャーナルへの寄稿記事

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AU - Hatanaka, Masashi

AU - Tanaka, Kazuyoshi

AU - Yamabe, Tokio

PY - 1995/4/1

Y1 - 1995/4/1

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