| Abstract
| - The nature of the Boulton−Katritzky rearrangement of (5R)-4-nitrosobenz[c]isoxazole and its anionwas studied employing three methodologies: calculation of magnetic properties (magneticsusceptibility, magnetic susceptibility anisotropy, and the nucleus-independent chemical shifts),the natural bonding orbital analysis, and the ACID (anisotropy of the current-induced density)method. The deep analysis of the results indicates a pseudopericyclic character for these reactionsdespite the aromaticity of the transition states.
|
