Orbital interaction analysis of McConnell's model for through-space magnetic coupling

Kazunari Yoshizawa, Tokiyo Yamabe, Roald Hoffmann

Research output: Contribution to journalArticlepeer-review

6 Citations (Scopus)

Abstract

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 diphenylmethyl radical The nodal properties which lead to the overlap (or lack of it) of the singly occupied molecular orbitals in this system 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 as the spin-polarization effects.

Original languageEnglish
Pages (from-to)157-166
Number of pages10
JournalMolecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals
Volume305
DOIs
Publication statusPublished - Jan 1 1997
Externally publishedYes

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics

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