Antiferromagnetic Exchange Interaction between Electrons on Degenerate LUMOs in Benzene Dianion
Abstract
We discuss the ground state of Benzene dianion (Bz2-) on the basis of the numerical diagonalization method of an effective model of π orbitals. It is found that the ground state can be the spin singlet state, and the exchange coupling between LUMOs can be antiferromagnetic.
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