title: Density functional calculations of the anisotropic effects of borazine and 1,3,2,4-diazadiboretidine.
abstract: On the basis of the nucleus-independent chemical shift (NICS) concept, the anisotropic effects of two inorganic rings, namely, borazine and planar 1,3,2,4-diazadiboretidine, are quantitatively calculated and visualized as isochemical shielding surfaces (ICSSs). Dissection of magnetic shielding values along the three Cartesian axes into contributions from σ and π bonds by the natural chemical shielding-natural bond orbital (NCS-NBO) method revealed that their appearance is not a simple reflection of the extent of (anti)aromaticity.
authors.affiliation: Faculty of Chemistry, University of Belgrade, Belgrade, Serbia. mbaranac@chem.bg.ac.rs
authors.forename: Marija
authors.initials: M
authors.lastname: Baranac-Stojanović
authors.forename: Andreas
authors.initials: A
authors.lastname: Koch
authors.forename: Erich
authors.initials: E
authors.lastname: Kleinpeter