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

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Keywords

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

ASJC Scopus subject areas

  • Condensed Matter Physics

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