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

Yasuhiro Ikabata; Kin Ya Akiba; Hiromi Nakai

doi:10.1246/cl.130679

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

Yasuhiro Ikabata, Kin Ya Akiba, Hiromi Nakai^*

^*この研究の対応する著者

研究成果: Article › 査読

4 被引用数 (Scopus)

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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
巻	42
号	11
DOI	https://doi.org/10.1246/cl.130679
出版ステータス	Published - 2013 11月 11

ASJC Scopus subject areas

化学 (全般)

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10.1246/cl.130679

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AB - 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.

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

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