Theoretical studies on magnetic couplings of M-π conjugated systems via pyrimidine coupler

Yu Takano; Hiroshi Isobe; Takashi Kawakami; Kizashi Yamaguchi

Theoretical studies on magnetic couplings of M-π conjugated systems via pyrimidine coupler

Yu Takano, Hiroshi Isobe, Takashi Kawakami, Kizashi Yamaguchi

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

Abstract

The spin alignment rule for the magnetic couplings of d-π-d conjugated systems via pyrimidine has been proposed on the basis of the superexchange (SE) interaction and spin polarization (SP) effects in order to predict the sign of J_ab values between transition metal ions. This rule shows that the subtle balance of σ- and π- type SE interaction and SP effects determines the magnetic interaction of these systems.

Original language	English
Pages (from-to)	531-536
Number of pages	6
Journal	Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals
Volume	379
Publication status	Published - Dec 1 2002
Externally published	Yes

Keywords

Effective exchange interaction (J )
M(II)-pyrimidine
Spin polarization (SP) effect
Superexchange (SE) interaction

ASJC Scopus subject areas

Condensed Matter Physics

Cite this

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title = "Theoretical studies on magnetic couplings of M-π conjugated systems via pyrimidine coupler",

abstract = "The spin alignment rule for the magnetic couplings of d-π-d conjugated systems via pyrimidine has been proposed on the basis of the superexchange (SE) interaction and spin polarization (SP) effects in order to predict the sign of Jab values between transition metal ions. This rule shows that the subtle balance of σ- and π- type SE interaction and SP effects determines the magnetic interaction of these systems.",

keywords = "Effective exchange interaction (J ), M(II)-pyrimidine, Spin polarization (SP) effect, Superexchange (SE) interaction",

author = "Yu Takano and Hiroshi Isobe and Takashi Kawakami and Kizashi Yamaguchi",

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T1 - Theoretical studies on magnetic couplings of M-π conjugated systems via pyrimidine coupler

AU - Takano, Yu

AU - Isobe, Hiroshi

AU - Kawakami, Takashi

AU - Yamaguchi, Kizashi

PY - 2002/12/1

Y1 - 2002/12/1

N2 - The spin alignment rule for the magnetic couplings of d-π-d conjugated systems via pyrimidine has been proposed on the basis of the superexchange (SE) interaction and spin polarization (SP) effects in order to predict the sign of Jab values between transition metal ions. This rule shows that the subtle balance of σ- and π- type SE interaction and SP effects determines the magnetic interaction of these systems.

AB - The spin alignment rule for the magnetic couplings of d-π-d conjugated systems via pyrimidine has been proposed on the basis of the superexchange (SE) interaction and spin polarization (SP) effects in order to predict the sign of Jab values between transition metal ions. This rule shows that the subtle balance of σ- and π- type SE interaction and SP effects determines the magnetic interaction of these systems.

KW - Effective exchange interaction (J )

KW - M(II)-pyrimidine

KW - Spin polarization (SP) effect

KW - Superexchange (SE) interaction

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SN - 1058-725X

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JO - Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals

JF - Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals

ER -

Theoretical studies on magnetic couplings of M-π conjugated systems via pyrimidine coupler

Abstract

Keywords

ASJC Scopus subject areas

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