Journal of the Chemical Society, Chemical Communications

The prop-2-yl cation is chiral

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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 <sup>13</sup>C n.m.r. chemical shifts for that conformation.