engleski

π-Electron Currents in Larger Fully Aromatic Benzenoids

Recently we have reported on calculation of π-electron ring currents in several smaller fully benzenoid hydrocarbons having up to eight fused benzene rings and five Clar π-aromatic sextets. In contrast to early HMO ring current calculations and more recent ab initio calculations of π-electron density our current calculations are based on a graph theoretical model in which contributions to ring currents comes from currents associated with individual conjugated circuits. In this contribution we consider several larger fully benzenoid hydrocarbons having from 9-13 fused rings and from six or seven π-aromatic sextets.

π-electron currents; Conjugated circuits; Fully aromatic benzenoids; Aromatic sextet

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