title: Aromaticity of the completely annelated tetraphenylenes: NICS and GIMIC characterization.
abstract: A series of heterocyclic and hydrocarbon [8]circulenes (also named completely annelated tetraphenylenes) were studied by the NICS and GIMIC methods in order to describe their aromatic properties from the magnetic criterion point of view. According to calculations all the hetero[8]circulene molecules demonstrate the bifacial aromatic/antiaromatic nature. The inner octatetraene core of the studied [8]circulenes is characterized by the presence of paratropic ("antiaromatic") ring currents, whereas the outer macrocycle constructed from the five- and six-membered rings possesses the magnetically-induced diatropic ("aromatic") ring current. The hydrocarbon [8]circulenes studied in this work consist of a similar planar cyclooctatetraene core but they exhibit a rather different balance of magnetically-induced ring currents.
authors.affiliation: Department of Organic Chemistry, Bogdan Khmelnitsky National University, blvd. Shevchenko 81, 18031, Cherkasy, Ukraine, glebchem@rambler.ru.
authors.forename: Gleb V
authors.initials: GV
authors.lastname: Baryshnikov
authors.forename: Nataliya N
authors.initials: NN
authors.lastname: Karaush
authors.forename: Rashid R
authors.initials: RR
authors.lastname: Valiev
authors.forename: Boris F
authors.initials: BF
authors.lastname: Minaev
mesh_terms: D047028:Macrocyclic Compounds / Q000737:chemistry*; D008958:Models, Molecular; D015394:Molecular Structure
chemical_list: D047028:Macrocyclic Compounds