Alternation of aromatic–nonaromatic rings in belt-like structures. The behavior of [6.8]3cyclacene in magnetic fields

Abstract

[6.8]₃Cyclacene is an interesting belt-like structure displaying aromatic–non-aromatic alternation, which is useful to gain an understanding of the intramolecular and intermolecular interactions between the anisotropic cones in the magnetic behavior of such rings. From the analysis of certain components in an induced magnetic field and ¹³C-NMR shielding under its own principal axis system (PAS), the individual and overall magnetic behavior of each respective aromatic and non-aromatic fragments can be clearly described. Interestingly, the magnetic response of [6.8]₃cyclacene suggests a characteristic behavior given by its confinement into a belt-like structure.