RT Journal Article
T1 Delving into the variability of supramolecular affinity: self-ion pairing as a central player in aqueous host-guest chemistry
A1 Gómez González, Borja
A1 Basílio, Nuno
A1 Vaz Araújo, Belén
A1 Pérez Lorenzo, Moisés
A1 García Río, Luis
K1 Host-Guest
K1 Ion-Pairing
K1 Macrocycle
K1 Pillararene
K1 Supramolecular Affinity
AB The determination of binding constants is a key matter in evaluating the strength of host–guest interactions. However, the profound impact of self-ion pairing on this parameter is often underrated in aqueous solution, leading in some cases to a misinterpretation of the true potential of supramolecular assemblies. In the present study, we aim to shed further light on this critical factor by exploring the concentration-dependent behavior of a multicharged pillararene in water. Our observations reveal an extraordinary 1-million-fold variability in the affinity of this macrocycle toward a given anion, showcasing the highly dynamic character of electrostatic interactions. We argue that these findings bring to the forefront the inherent determinism that underlies the estimation of affinity constants, a factor profoundly shaped by both the sensitivity of the instrumental technique in use and the intricacies of the experimental design itself. In terms of applications, these results may provide the opportunity to optimize the operational concentrations of multicharged hosts in different scenarios, aiming to achieve their maximum efficiency based on the intended application. Unlocking the potential of this hidden variability may pave the way for the creation of novel molecular materials with advanced functionalities
PB Wiley
YR 2024
FD 2024-02-05
LK https://hdl.handle.net/10347/44404
UL https://hdl.handle.net/10347/44404
LA eng
NO B. Gómez-González, N. Basílio, B. Vaz, M. Pérez-Lorenzo, L. García-Río, Angew. Chem. Int. Ed. 2024, 63, e202317553. https://doi.org/10.1002/anie.202317553
NO Xunta de Galicia. Grant Numbers: ED431G 2019/06, ED431C 2022/24, ED431C 2021/45
DS Minerva
RD 25 abr 2026