The Role of Orbital Interactions in Determining Ferromagnetic Coupling in Organic Molecular Assemblies

Kazunari Yoshizawa, Roald Hoffmann

研究成果: Contribution to journalArticle査読

97 被引用数 (Scopus)

抄録

McConnell’s model for through-space magnetic interaction can be interpreted from the vantage point of molecular orbital interactions. Intermolecular magnetic interactions are analyzed in several stacking modes of allyl, diphenylmethyl, and nitroxide radical systems. The nodal properties which lead to the overlap (or lack of it) of the singly occupied molecular orbitals in these systems play an essential role in the ferromagnetic coupling of molecules in extended systems. These nodal characteristics and the overlaps governing orbital interaction are as important, we argue, as the spin-polarization effects from electron correlation.

本文言語英語
ページ(範囲)6921-6926
ページ数6
ジャーナルJournal of the American Chemical Society
117
26
DOI
出版ステータス出版済み - 1995
外部発表はい

All Science Journal Classification (ASJC) codes

  • 触媒
  • 化学 (全般)
  • 生化学
  • コロイド化学および表面化学

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