The 7‐Norbornadienyl Cation: An NMR/IGLO Validation of its ab initio Structure

The energetically favored structure of the 7-norbornadienyl cation is only Cs symmetric according to ab initio calculations. The 13C NMR chemical shifts calculated from the theoretical structural parameters are in good agreement with the experimental values for both 1 and the norbornenyl cation 2.