High-spin state instability in nitroxide triradical coupled through m-phenylene

Kazunari Yoshizawa, Takako Kuga, Masashi Hatanaka, Kazuyoshi Tanaka, Tokio Yamabe

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Abstract

The electronic structure of 2-methoxy-1,3,5-benzenetriyltris (N-hydronitroxide) (MBTN) is discussed with the ab initio molecular orbital method at the second-order Møller-Plesset perturbation level of theory. The result explains why high-spin states are unstable in some hindered nitroxide di-and triradicals coupled through m-phenylene.

Original languageEnglish
Pages (from-to)1765-1766
Number of pages2
JournalSynthetic Metals
Volume85
Issue number1-3
Publication statusPublished - Mar 15 1997
Externally publishedYes

All Science Journal Classification (ASJC) codes

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

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  • Cite this

    Yoshizawa, K., Kuga, T., Hatanaka, M., Tanaka, K., & Yamabe, T. (1997). High-spin state instability in nitroxide triradical coupled through m-phenylene. Synthetic Metals, 85(1-3), 1765-1766.