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: Contribution to journalArticle査読

1 被引用数 (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.

本文言語英語
ページ(範囲)1829-1830
ページ数2
ジャーナルSynthetic Metals
71
1-3
DOI
出版ステータス出版済み - 4 1 1995
外部発表はい

All Science Journal Classification (ASJC) codes

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

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