Synthesis, intermolecular interaction, and semiconductive behavior of a delocalized singlet biradical hydrocarbon

被引：293

作者：

Kubo, T

Shimizu, A

Sakamoto, M

Uruichi, M

Yakushi, K

Nakano, M

Shiomi, D

Sato, K

Takui, T

Morita, Y

Nakasuji, K

机构：

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

[2] Inst Mol Sci, Dept Appl Mol Sci, Okazaki, Aichi 4448585, Japan

[3] Osaka Univ, Grad Sch Engn Sci, Dept Mat Engn Sci, Toyonaka, Osaka 5608531, Japan

[4] Osaka City Univ, Grad Sch Sci, Dept Chem & Mat Sci, Sumiyoshi Ku, Osaka 5588585, Japan

来源：

ANGEWANDTE CHEMIE-INTERNATIONAL EDITION | 2005年 / 44卷 / 40期

关键词：

charge transfer; conjugation; density functional calculations; radicals; semiconductors;

D O I：

10.1002/anie.200502303

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

(Figure Presented) A phenalenyl-based Kekulé hydrocarbon with singlet biradical character has been isolated and characterized. Strong intra-and intermolecular interactions between the unpaired electrons lead to short π-π contacts and formation of one-dimensional chains (see picture). Thus, wide valence and conduction bands are established, and the compound shows semi-conductive behavior. © 2005 Wiley-VCH Verlag GmbH & Co. KGaA.

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页码：6564 / 6568

页数：5

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