Theoretical study of effective exchange integrals for ferromagnetic phenylenevinylene polymers with nitroxides. Possibilities of organic ferro- or ferri-magnetic solids

Goro Maruta, Daisuke Yamaki, Wasuke Mori, Kizashi Yamaguchi, Hiroyuki Nishide

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10 Citations (Scopus)

Abstract

Molecular orbital calculations were carried out for pendant-type ferromagnetic phenylenevinylene oligomers with nitroxide groups in order to elucidate variations of the effective exchange integrals with oligomer size, conformational change and spin defects generated in the dehydrogenation process of NOH groups in the precursor oligomers. It was shown that the ferromagnetic effective exchange interactions between the nearest neighbor nitroxides are about 50-80 cm-1, but they decrease with the internal rotation and spin defect. The interchain interactions between the oligomers are antiferrornagnetic, and therefore they should be controlled by introduction of spacer group, showing a possibility to obtain the high TC organic ferrimagnet induced by one-electron transfer between the oligomer and spacer.

Original languageEnglish
Pages (from-to)19-28
Number of pages10
JournalMolecular Crystals and Liquid Crystals Science and Technology Section A: Molecular Crystals and Liquid Crystals
Volume278-279
Publication statusPublished - 1996

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oligomers
Oligomers
Polymers
polymers
spacers
Orbital calculations
ferrimagnets
Defects
Exchange interactions
defects
Molecular orbitals
Dehydrogenation
dehydrogenation
molecular orbitals
electron transfer
interactions
Electrons

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

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title = "Theoretical study of effective exchange integrals for ferromagnetic phenylenevinylene polymers with nitroxides. Possibilities of organic ferro- or ferri-magnetic solids",
abstract = "Molecular orbital calculations were carried out for pendant-type ferromagnetic phenylenevinylene oligomers with nitroxide groups in order to elucidate variations of the effective exchange integrals with oligomer size, conformational change and spin defects generated in the dehydrogenation process of NOH groups in the precursor oligomers. It was shown that the ferromagnetic effective exchange interactions between the nearest neighbor nitroxides are about 50-80 cm-1, but they decrease with the internal rotation and spin defect. The interchain interactions between the oligomers are antiferrornagnetic, and therefore they should be controlled by introduction of spacer group, showing a possibility to obtain the high TC organic ferrimagnet induced by one-electron transfer between the oligomer and spacer.",
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T1 - Theoretical study of effective exchange integrals for ferromagnetic phenylenevinylene polymers with nitroxides. Possibilities of organic ferro- or ferri-magnetic solids

AU - Maruta, Goro

AU - Yamaki, Daisuke

AU - Mori, Wasuke

AU - Yamaguchi, Kizashi

AU - Nishide, Hiroyuki

PY - 1996

Y1 - 1996

N2 - Molecular orbital calculations were carried out for pendant-type ferromagnetic phenylenevinylene oligomers with nitroxide groups in order to elucidate variations of the effective exchange integrals with oligomer size, conformational change and spin defects generated in the dehydrogenation process of NOH groups in the precursor oligomers. It was shown that the ferromagnetic effective exchange interactions between the nearest neighbor nitroxides are about 50-80 cm-1, but they decrease with the internal rotation and spin defect. The interchain interactions between the oligomers are antiferrornagnetic, and therefore they should be controlled by introduction of spacer group, showing a possibility to obtain the high TC organic ferrimagnet induced by one-electron transfer between the oligomer and spacer.

AB - Molecular orbital calculations were carried out for pendant-type ferromagnetic phenylenevinylene oligomers with nitroxide groups in order to elucidate variations of the effective exchange integrals with oligomer size, conformational change and spin defects generated in the dehydrogenation process of NOH groups in the precursor oligomers. It was shown that the ferromagnetic effective exchange interactions between the nearest neighbor nitroxides are about 50-80 cm-1, but they decrease with the internal rotation and spin defect. The interchain interactions between the oligomers are antiferrornagnetic, and therefore they should be controlled by introduction of spacer group, showing a possibility to obtain the high TC organic ferrimagnet induced by one-electron transfer between the oligomer and spacer.

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