Title of article
Equiaromatic benzenoids: Arbitrarily large sets of isomers with equal ring currents
Author/Authors
Fowler، نويسنده , , Patrick W. and Cotton، نويسنده , , Sam and Jenkinson، نويسنده , , Daniel and Myrvold، نويسنده , , Wendy and Bird، نويسنده , , William H.، نويسنده ,
Issue Information
روزنامه با شماره پیاپی سال 2014
Pages
6
From page
30
To page
35
Abstract
A notion of equiaromaticity is defined: two polycyclic systems are equiaromatic if their rings can be put into one-to-one correspondence such that corresponding π ring currents are equal. In conjugated-circuit models, amongst other families, all isomeric unbranched catafused benzenoids sharing the same sequence of straight-chain lengths are predicted to be equiaromatic. In particular, all fibonacenes with equal numbers of hexagonal rings, from zig-zag to helicenoid isomers, are equiaromatic according to all conjugated-circuit models. Test calculations with small fibonacenes indicate that equiaromaticity is retained as a qualitative trend in the simplest molecular-orbital treatment of induced current.
Journal title
Chemical Physics Letters
Serial Year
2014
Journal title
Chemical Physics Letters
Record number
1936374
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