On the Aromatic Character of 1,2-Dihydro-1,2-azaborine2 According to Magnetic Criteria

The behavior of benzene, 1,2-dihydro-1,2-azaborine, and borazineunder a magnetic perturbation is theoretically evaluated to assess how the 1,2-dihydro-1,2-azaborine molecule displays an intermediate character between itshydrocarbon (benzene) and fully boro-nitrogen (borazine) parents. The use oftridimensional visualization tools confirm that “single-value” magnetic propertiesdo not allow one to properly evaluate the whole magnetic behavior and the“magnetic π-aromaticity” of these compounds, since the σ-electron response isalso modified due to the introduction of polar B-N bond(s) and has a significantinfluence on the various magnetic properties.