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

Access to Document

10.1016/0379-6779(94)03071-D

Cite this

@article{88f23872faca44f1b734e14854dc1bef,

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,

day = "1",

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

language = "English",

volume = "71",

pages = "1829--1830",

journal = "Synthetic Metals",

issn = "0379-6779",

publisher = "Elsevier BV",

number = "1-3",

}

TY - JOUR

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 - http://www.scopus.com/inward/record.url?scp=0029289117&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0029289117&partnerID=8YFLogxK

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

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

M3 - Article

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

Access to Document

Other files and links

Fingerprint

Cite this