Spherical aromaticity in fullerenes and the nucleus-independent chemical shifts at the cage centers

被引：18

作者：

Aihara, J ^{[1
]}

机构：

[1] Shizuoka Univ, Fac Sci, Dept Chem, Oya, Shizuoka 4228529, Japan

来源：

BULLETIN OF THE CHEMICAL SOCIETY OF JAPAN | 2003年 / 76卷 / 01期

关键词：

D O I：

10.1246/bcsj.76.103

中图分类号：

O6 [化学];

学科分类号：

0703 ;

摘要：

Nucleus-independent chemical shifts (NICSs) at the cage centers for closed-shell isolated-pentagon isomers of C-82 fullerene lie in the wide range from -11 to +48 although all of the isomers are sufficiently aromatic. This decisively shows that NICS cannot be used as an indicator of spherical aromaticity for fullerenes. NICS is nothing other than the measure of local magnetotropicity. Diatropicity is compatible with aromaticity only for monocyclic pi-systems.

引用

页码：103 / 105

页数：3

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