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

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

Research output: Contribution to journalArticle

1 Citation (Scopus)

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

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Molecular orbitals
Electronic structure
molecular orbitals
electronic structure
perturbation

All Science Journal Classification (ASJC) codes

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

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.

High-spin state instability in nitroxide triradical coupled through m-phenylene. / Yoshizawa, Kazunari; Kuga, Takako; Hatanaka, Masashi; Tanaka, Kazuyoshi; Yamabe, Tokio.

In: Synthetic Metals, Vol. 85, No. 1-3, 15.03.1997, p. 1765-1766.

Research output: Contribution to journalArticle

Yoshizawa, K, Kuga, T, Hatanaka, M, Tanaka, K & Yamabe, T 1997, 'High-spin state instability in nitroxide triradical coupled through m-phenylene', Synthetic Metals, vol. 85, no. 1-3, pp. 1765-1766.
Yoshizawa K, Kuga T, Hatanaka M, Tanaka K, Yamabe T. High-spin state instability in nitroxide triradical coupled through m-phenylene. Synthetic Metals. 1997 Mar 15;85(1-3):1765-1766.
Yoshizawa, Kazunari ; Kuga, Takako ; Hatanaka, Masashi ; Tanaka, Kazuyoshi ; Yamabe, Tokio. / High-spin state instability in nitroxide triradical coupled through m-phenylene. In: Synthetic Metals. 1997 ; Vol. 85, No. 1-3. pp. 1765-1766.
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