Abstract

The benzene π -electron SCF ground state is treated within the bond orbital resonance theory (BORT) approach. It is shown that this state is a linear combination of only three BORT resonance structures. Two structures are Kekulé BORT structures, and their contribution to the ground state is dominant. The third structure corresponds to the Claus description of the benzene molecule. This simple picture involving only three BORT structures is compared with the VB description which involves 175 VB resonance structures.

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