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

Research output: Contribution to journalArticle

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

ASJC Scopus subject areas

  • Condensed Matter Physics

Fingerprint Dive into the research topics of 'Theoretical study of effective exchange integrals for ferromagnetic phenylenevinylene polymers with nitroxides. Possibilities of organic ferro- or ferri-magnetic solids'. Together they form a unique fingerprint.

  • Cite this