Antiferromagnetic Exchange Interaction between Electrons on Degenerate LUMOs in Benzene Dianion

preprint2012arXivOpen access

We discuss the ground state of Benzene dianion (Bz $^{2-}$ ) 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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Antiferromagnetic Exchange Interaction between Electrons on Degenerate LUMOs in Benzene Dianion

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