Theoretical study on magnetic properties of imidazolyl nitronyl nitroxide derivatives

H. Nagashima, H. Inoue, N. Yoshioka

Research output: Contribution to journalConference article

2 Citations (Scopus)

Abstract

A theoretical study on magnetic properties of imidazolyl nitronyl nitroxide derivatives was presented. The theoretical calculations carried out for their dimeric coordinates were obtained from x-ray analysis and magnetic interaction pathways were investigated. It was found that the calculated coupling constant values for both full and simplified dimers reproduced experimental results satisfactorily, showing that direct SOMO-SOMO interaction mainly contributed to the magnetic interaction pathways.

Original languageEnglish
Pages (from-to)1257-1258
Number of pages2
JournalSynthetic Metals
Volume137
Issue number1-3
DOIs
Publication statusPublished - 2003 Apr 4
EventICSM 2002 - Shanghai, China
Duration: 2002 Jun 292002 Jul 5

Keywords

  • Benzimidzole
  • Density functional calculation
  • Imidazole
  • Magnetic measurements
  • Nitronyl nitroxide
  • X-ray diffraction

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Condensed Matter Physics
  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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