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

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

1 Citation (Scopus)

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.

Original language	English
Pages (from-to)	1829-1830
Number of pages	2
Journal	Synthetic Metals
Volume	71
Issue number	1-3
DOIs	https://doi.org/10.1016/0379-6779(94)03071-D
Publication status	Published - Apr 1 1995
Externally published	Yes

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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10.1016/0379-6779(94)03071-D

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

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.",

year = "1995",

month = apr,

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doi = "10.1016/0379-6779(94)03071-D",

language = "English",

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pages = "1829--1830",

journal = "Synthetic Metals",

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T1 - Molecular orbital study on cationic states of triphenylene and 1,3,5-tris(diphenylamino)benzene as a design of charge-transfer organic ferromagnets

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.

PY - 1995/4/1

Y1 - 1995/4/1

N2 - 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.

AB - 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.

UR - https://www.scopus.com/pages/publications/0029289117

UR - https://www.scopus.com/pages/publications/0029289117#tab=citedBy

U2 - 10.1016/0379-6779(94)03071-D

DO - 10.1016/0379-6779(94)03071-D

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AN - SCOPUS:0029289117

SN - 0379-6779

VL - 71

SP - 1829

EP - 1830

JO - Synthetic Metals

JF - Synthetic Metals

IS - 1-3

ER -

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

Abstract

All Science Journal Classification (ASJC) codes

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