Curved aromaticity of a corannulene-based neutral radical: Crystal structure and 3D unbalanced delocalization of spin

被引：49

作者：

Morita, Yasushi ^{[1
,4
]}

Ueda, Akira ^{[1
]}

Nishida, Shinsuke ^{[2
,3
]}

Fukui, Kozo ^{[4
]}

Ise, Tomoaki ^{[2
,3
]}

Shiomi, Daisuke ^{[2
,3
]}

Sato, Kazunobu ^{[2
,3
]}

Takui, Takeji ^{[2
,3
]}

Nakasuji, Kazuhiro ^{[1
]}

机构：

[1] Osaka Univ, Dept Chem, Grad Sch Sci, Osaka 5600043, Japan

[2] Osaka City Univ, Dept Chem, Grad Sch Sci, Sumiyoshi Ku, Osaka 5588585, Japan

[3] Osaka City Univ, Dept Mat Sci, Grad Sch Sci, Sumiyoshi Ku, Osaka 5588585, Japan

[4] Japan Sci & Technol Agcy, PRESTO, Tokyo, Japan

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2008年 / 47卷 / 11期

关键词：

aromaticity; density functional calculations; EPR spectroscopy; radicals; X-ray diffraction;

D O I：

10.1002/anie.200704752

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Figure Presented) A well-rounded radical: A stable corannulene-based neutral radical with curved p conjugation was synthesized, and the crystal structure was determined. Unbalanced delocalized electronic spin on the three-dimensional p surface of the corannulene moiety (see spin-density distribution) demonstrates a sizable intermolecular exchange interaction and curved aromaticity. © 2008 Wiley-VCH Verlag GmbH & Co. KGaA.

引用

页码：2035 / 2038

页数：4

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