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

doi:10.1016/0379-6779(94)03071-D

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 › 学術誌 › 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
巻	71
号	1-3
DOI	https://doi.org/10.1016/0379-6779(94)03071-D
出版ステータス	出版済み - 4月 1 1995
外部発表	はい

!!!All Science Journal Classification (ASJC) codes

電子材料、光学材料、および磁性材料
凝縮系物理学
材料力学
機械工学
金属および合金
材料化学

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10.1016/0379-6779(94)03071-D

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引用スタイル

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abstract = "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.",

author = "Kazunari Yoshizawa and Masashi Hatanaka and Kazuyoshi Tanaka and Tokio Yamabe",

note = "Funding Information: This work was supported by a Grant-in-Aid for Scientific Research from the Ministry of Education, Science and Culture of Japan.",

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AU - Yoshizawa, Kazunari

AU - Hatanaka, Masashi

AU - Tanaka, Kazuyoshi

AU - Yamabe, Tokio

N1 - Funding Information: This work was supported by a Grant-in-Aid for Scientific Research from the Ministry of Education, Science and Culture of Japan.

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Y1 - 1995/4/1

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