Title of article :
Patterns of Ring Current in Coronene Isomers
Author/Authors :
Alexandru T. Balaban ، نويسنده , , David E. Bean، نويسنده , , Patrick W. Fowler، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2010
Abstract :
The ipsocentric pseudo-π 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.
Keywords :
Coronene isomers , ring currents , local aromaticity , diatropic perimeter currents
Journal title :
Acta Chimica Slovenica
Journal title :
Acta Chimica Slovenica