Solvation rules: aromatic interactions outcompete cation-π interactions in synthetic host-guest complexes in water

Chem Commun (Camb). 2023 Nov 28;59(95):14146-14148. doi: 10.1039/d3cc04399a.

Abstract

Chemical double mutant cycles were used to measure the interaction of a N-methyl pyridinium cation with a π-box in a calix[4]pyrrole receptor. Although the cation-π interaction is attractive (-11 kJ mol-1), it is 7 kJ mol-1 less favourable than the corresponding aromatic interaction with the isosteric but uncharged tolyl group.