Patterns of ring current in coronene isomers.
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.
Alexandru T
AT
Balaban
David E
DE
Bean
Patrick W
PW
Fowler