Superphenalenyl: Theoretical design of a π-conjugated planar hydrocarbon radical

Yasuhiro Ikabata, Kin Ya Akiba, Hiromi Nakai

研究成果: Article査読

4 被引用数 (Scopus)

抄録

We propose "superphenalenyl" as a novel π-conjugated planar hydrocarbon radical. Theoretical calculation was performed to evaluate its stability compared to phenalenyl and trioxotriangulene. The result of spin distribution and reaction energy supports its high stability. Molecular properties of this radical are also discussed based on orbital energies.

本文言語English
ページ(範囲)1386-1387
ページ数2
ジャーナルChemistry Letters
42
11
DOI
出版ステータスPublished - 2013 11 11

ASJC Scopus subject areas

  • Chemistry(all)

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