POSSIBILITIES OF ORGANIC FERROMAGNETS AND FERRIMAGNETS BY THE USE OF CHARGE-TRANSFER (CT) COMPLEXES WITH RADICAL SUBSTITUENTS - ABINITIO MO STUDIES

被引：91

作者：

YAMAGUCHI, K ^{[1
]}

NAMIMOTO, H ^{[1
]}

FUENO, T ^{[1
]}

NOGAMI, T ^{[1
]}

SHIROTA, Y ^{[1
]}

机构：

[1] OSAKA UNIV,FAC ENGN,DEPT APPL CHEM,TOYONAKA,OSAKA 560,JAPAN

来源：

CHEMICAL PHYSICS LETTERS | 1990年 / 166卷 / 04期

关键词：

D O I：

10.1016/0009-2614(90)85052-E

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

Approximately projected unrestricted Hartree-Fock (APUHF) STO-3G and 4-31G calculations have been carried out for charge-transfer (CT) complexes with radical substituents. The computations reveal that the signs of intermolecular effective exchange integrals are variable with stacking modes of donor-acceptor pairs. Organic ferromagnets and/or ferrimagnets are conceivable for appropriately stacked CT complexes with radical groups. The calculated results are also discussed in relation to possibilities of conversions of CT complexes into organic magnetic conductors such as ferromagnetic metal. © 1990.

引用

页码：408 / 414

页数：7

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