Calculated Magnetic Properties of a Recently Synthesized Corannulene-Dibenzobistetracene Hybrid.

Comparison is made between two calculated magnetic properties of a recently synthesized 24-ring corannulene-dibenzobistetracene hybrid (Corannulene-DBT): nuclear independent chemical shifts published by Xu et al. and Hückel-London-Pople-McWeeny (HLPM) ring currents and bond currents that are presented here. There is agreement in 18 of the 24 rings in Corannulene-DBT. This is seen as further evidence that the HLPM approach has a surprising ability to reproduce complex patterns of current in large polycyclic hydrocarbons.