A diatropic ring current in a fluorofullerene trannulene

被引:27
作者
Burley, GA [1 ]
Fowler, PW
Soncini, A
Sandall, JPB
Taylor, R
机构
[1] Univ Sussex, Sch Chem Phys & Environm Sci, Brighton BN1 9Q, E Sussex, England
[2] Univ Exeter, Dept Chem, Exeter EX4 4Q, Devon, England
关键词
D O I
10.1039/b307514c
中图分类号
O6 [化学];
学科分类号
0703 ;
摘要
Ipsocentric current-density maps for a fluorofullerene derivative, C60F15H3, modelling the addition pattern of the experimentally characterised C60F15[CBr(CO2Et)(2)](3) which contains an [18]trans-annulene system, reveal a diamagnetic ring current dominated by the contribution of the four HOMO electrons, as in a classical (4n + 2) aromatic annulene.
引用
收藏
页码:3042 / 3043
页数:2
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