title: Interatomic magnetizability: a QTAIM-based approach toward deciphering magnetic aromaticity.
abstract: Interatomic magnetizability provides insight into the extent of electronic current density between two adjacent atomic basins. By studying a number of well-known aromatic, nonaromatic, and antiaromatic molecules, it is demonstrated that interatomic magnetizability (bond magnetizability) not only is able to verify the exact nature of aromaticity/antiaromaticity among different molecules, but also can distinguish the correct aromaticity order among sets of aromatic/antiaromatic molecules. The interatomic magnetizability is a direct measure of the current flux between two adjacent atomic basins and is the first QTAIM-derived index that evaluates aromaticity based on a response property, that is, magnetizability. Bond magnetizability is easy to compute, straightforward to interpret, and can be employed to evaluate the pure π- or σ-orbital contributions to magnetic aromaticity.
authors: School of Chemistry, College of Science, University of Tehran, Tehran, Iran. cina-foroutan@khayam.ut.ac.ir
authors: Cina
authors: C
authors: Foroutan-Nejad
mesh_terms: D008280:Magnetics; D008958:Models, Molecular; D011789:Quantum Theory