title: Aromaticity of strongly bent benzene rings: persistence of a diatropic ring current and its shielding cone in [5]paracyclophane.
abstract: Direct evaluation of the induced π current density in [5]paracyclophane (1) shows that, despite the significant non-planarity (α = 23.2°) enforced by the pentamethylene bridge, there is only a modest (ca. 17%) reduction in the π ring current, justifying the use of shielding-cone arguments for the assignment of (1)H NMR chemical shifts of 1 and the claim that the non-planar benzene ring in 1 retains its aromaticity (on the magnetic criterion).
authors.affiliation: Organic Chemistry & Catalysis, Debye Institute for Nanomaterials Science, Utrecht University, Utrecht, Netherlands. l.w.jenneskens@uu.nl
authors.forename: Leonardus W
authors.initials: LW
authors.lastname: Jenneskens
authors.forename: Remco W A
authors.initials: RW
authors.lastname: Havenith
authors.forename: Alessandro
authors.initials: A
authors.lastname: Soncini
authors.forename: Patrick W
authors.initials: PW
authors.lastname: Fowler
mesh_terms: D011083:Polycyclic Compounds / Q000737:chemistry*; D011789:Quantum Theory
chemical_list: D011083:Polycyclic Compounds