Electronic structure of 2,5,8-tri-tert-butylphenalenyl radical studied by He(I) photoelectron spectroscopy

Mari Kubota, Tsunetoshi Kobayashi, Takashi Kubo, Kazuhiro Nakasuji

研究成果: Article査読

3 被引用数 (Scopus)

抄録

Phenalenyl radical is an odd-alternant hydrocarbon radical of high symmetry, D3h and is extremely attractive as the constituent of molecular magnets. But it has not been characterized in detail. Recently, 2,5,8-tri-tert-butylphenalenyl radical has successfully been synthesized. In this work the gas phase He(I) photoelectron spectrum of this radical has been measured and analyzed with the aid of UHF MO and RHF MO SECI calculations. The first band has been assigned to the ionization from the SO-π-MO of the neutral radical. The second band group has been ascribed to the ionized states relevant to three triplet ionic states and one singlet ionic state of the monocation, the third band group being ascribed to the two singlet ionic states of the monocation.

本文言語English
ページ(範囲)11-14
ページ数4
ジャーナルJournal of Electron Spectroscopy and Related Phenomena
165
1-3
DOI
出版ステータスPublished - 2008 9

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Radiation
  • Atomic and Molecular Physics, and Optics
  • Condensed Matter Physics
  • Spectroscopy
  • Physical and Theoretical Chemistry

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