Ground states of conjugated molecules-XXI. Benzofurans and benzopyrroles

Abstract

Calculations are reported for several benzo derivatives of furan and indole, using the semiempirical SCF MO Π approximation developed in these laboratories. These indicate that isobenzofuran and isoindole should be much less stable, and have lower ionization potentials, than benzofuran or indole. © 1970.