1208.2817 (Hiroyasu Matsuura et al.)

Antiferromagnetic Exchange Interaction between Electrons on Degenerate
LUMOs in Benzene Dianion    [PDF]

Hiroyasu Matsuura, Kazumasa Miyake, Hidetoshi Fukuyama

We discuss the ground state of Benzene dianion (Bz$^{2-}$) on the basis of the numerical diagonalization method of an effective model of $\pi$ orbitals. It is found that the ground state can be the spin singlet state, and the exchange coupling between LUMOs can be antiferromagnetic.

View original: http://arxiv.org/abs/1208.2817