Patterns of ring current in coronene isomers.

نویسندگان

  • Alexandru T Balaban
  • David E Bean
  • Patrick W Fowler
چکیده

The ipsocentric pseudo-p model is used to predict maps of induced current density for isomeric variations of coronene in which the central hexagonal ring is surrounded by 5, 6, and 7-membered rings. All isomers in the set are predicted to support strong diatropic perimeter ring currents, thereby conforming to the magnetic criterion of aromaticity.

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عنوان ژورنال:
  • Acta chimica Slovenica

دوره 57 3  شماره 

صفحات  -

تاریخ انتشار 2010