The prop-2-yl cation is chiral

Abstract

The prediction made by high level ab initio theory (MP4/6-311G* *//MP2/6-311G**+ZPE) that the prop-2-yl cation prefers a twisted structured with C<inf>2</inf> symmetry is supported by the excellent and unique correspondence of the experimental and individual Gauge for Localized molecular Orbitals (IGLO) calculated ¹³C n.m.r. chemical shifts for that conformation.