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 language | English |
|---|---|
| Pages (from-to) | 157-166 |
| Number of pages | 10 |
| Journal | Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals |
| Volume | 305 |
| DOIs | |
| Publication status | Published - Jan 1 1997 |
| Externally published | Yes |
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All Science Journal Classification (ASJC) codes
- Condensed Matter Physics
Cite this
Orbital interaction analysis of McConnell's model for through-space magnetic coupling. / Yoshizawa, Kazunari; Yamabe, Tokiyo; Hoffmann, Roald.
In: Molecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals, Vol. 305, 01.01.1997, p. 157-166.Research output: Contribution to journal › Article
}
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 -