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Updated: Oct 9, 2026

Probing the Structure and Dynamics of Interfacial Water with Scanning Tunneling Microscopy and Spectroscopy
Published on: May 27, 2018
Long-range electrostatic interactions with remote charges modulate cation-π interaction energies in water
Esteban Valencia1,2, Si-Qi Du1,2, Gemma Aragay1
1Institute of Chemical Research of Catalonia (ICIQ-CERCA), Barcelona Institute of Science and Technology (BIST), Av Països Catalans, 16, Tarragona, 43007, Spain. pballester@iciq.es.
Abstract:
Chemical double mutant cycles using calix[4]pyrrole receptors have quantified the effect of remote charges on the free energy of interaction between an N-methyl pyridinium cation and a π-box in water. The cation-π interaction energies are 0.7-2.2 kcal mol-1 more favorable in negatively charged receptors than in their positively charged analogs.
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