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

Kazunari Yoshizawa, Tokiyo Yamabe, Roald Hoffmann

Research output: Contribution to journalArticle

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

Fingerprint

Magnetic couplings
Molecular orbitals
orbitals
Spin polarization
molecular orbitals
interactions
Molecules
polarization
molecules

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics

Cite this

@article{4465a4d8c98c4647a8d1d469bbba5a18,
title = "Orbital interaction analysis of McConnell's model for through-space magnetic coupling",
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.",
author = "Kazunari Yoshizawa and Tokiyo Yamabe and Roald Hoffmann",
year = "1997",
month = "1",
day = "1",
doi = "10.1080/10587259708045053",
language = "English",
volume = "305",
pages = "157--166",
journal = "Molecular Crystals and Liquid Crystals",
issn = "1542-1406",
publisher = "Taylor and Francis Ltd.",

}

TY - JOUR

T1 - Orbital interaction analysis of McConnell's model for through-space magnetic coupling

AU - Yoshizawa, Kazunari

AU - Yamabe, Tokiyo

AU - Hoffmann, Roald

PY - 1997/1/1

Y1 - 1997/1/1

N2 - 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.

AB - 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.

UR - http://www.scopus.com/inward/record.url?scp=0031383059&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0031383059&partnerID=8YFLogxK

U2 - 10.1080/10587259708045053

DO - 10.1080/10587259708045053

M3 - Article

AN - SCOPUS:0031383059

VL - 305

SP - 157

EP - 166

JO - Molecular Crystals and Liquid Crystals

JF - Molecular Crystals and Liquid Crystals

SN - 1542-1406

ER -