• 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