Behavior of [2.2]paracyclophane in magnetic fields: A survey of the magnetic response properties from chemical shift tensor maps

Abstract

[2.2]Paracyclophane, is a fascinating compound that consist of two π-stacked benzene rings in parallel planes which are held together by two p-ethyl bridges, where the close proximity of the aromatic rings leads to unique properties and distinctive features. The graphical analysis of each component of the chemical shift tensor ( δ), reveals the magnetic complexity of such entity dominated by both ring current and anisotropic effects. In addition to the enhance magnetic response due to the additive interaction between the magnetic fields generated by the diatropic ring currents on each aromatic ring ( ring current effect). The analysis of the δ xx and δ yy components, reveals the influence of the anisotropic effect from the p-ethyl bridges leading to deshielding regions at the center of [2.2]paracyclophane, which contribute to the anisotropic behavior observed.