title: A theoretical and experimental scale of aromaticity. The first nucleus-independent chemical shifts (NICS) study of the dimethyldihydropyrene nucleus.
abstract: Nucleus-independent chemical shift (NICS) values were calculated at several locations for a series of dimethyldihydropyrenes (DDPs). These NICS values were used to assess the relative aromaticities of the dimethyldihydropyrene nucleus (DDPN) of these DDPs and to construct a NICS scale of aromaticity. The NICS and experimentally determined relative aromaticities of these DDPNs are in complete agreement, verifying that NICS can be used not only to classify a compound as aromatic but also to determine the degrees of aromaticity of structurally related systems.
authors.affiliation: Department of Chemistry, University of Idaho, PO Box 442343, Moscow 83844-2343, USA. williams@neon.chem.uidaho.edu
authors.forename: Richard Vaughan
authors.initials: RV
authors.lastname: Williams
authors.forename: John R
authors.initials: JR
authors.lastname: Armantrout
authors.forename: Brendan
authors.initials: B
authors.lastname: Twamley
authors.forename: Reginald H
authors.initials: RH
authors.lastname: Mitchell
authors.forename: Timothy R
authors.initials: TR
authors.lastname: Ward
authors.forename: Subhajit
authors.initials: S
authors.lastname: Bandyopadhyay