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 journalArticle

2 Citations (Scopus)

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.

Original languageEnglish
Pages (from-to)531-536
Number of pages6
JournalMolecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals
Volume379
Publication statusPublished - 2002
Externally publishedYes

Fingerprint

Magnetic couplings
Spin polarization
pyrimidines
couplers
Transition metals
Metal ions
interactions
polarization
metal ions
transition metals
alignment
pyrimidine

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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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.",
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AU - Takano, Yu

AU - Isobe, Hiroshi

AU - Kawakami, Takashi

AU - Yamaguchi, Kizashi

PY - 2002

Y1 - 2002

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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