Publication: Host–guest complexes vs. supramolecular polymers in chalcogen bonding receptors: an experimental and theoretical study
Authors
Navarro García, Encarnación ; Galmés, Bartomeu ; Esquivel, José Luis ; Velasco, María D. ; Bastida, Adolfo ; Zapata Fernández, Fabiola ; Caballero, Antonio ; Frontera, Antonio
item.page.secondaryauthor
item.page.director
Publisher
Royal Society of Chemistry
publication.page.editor
publication.page.department
DOI
https://doi.org/10.1039/D1DT03925C
item.page.type
info:eu-repo/semantics/article
Description
©2022. This manuscript version is made available under the CC-BY-NC-ND 4.0 license http://creativecommons.org/licenses/by-nc-nd/4.0/
This document is the Accepted, version of a Published Work that appeared in final form in Dalton Transactions. To access the final edited and published work see https://doi.org/10.1039/d1dt03925c
Abstract
We describe here a comparative study between two tripodal anion receptors based on selenophene as
the binding motif. The receptors use benzene or perfluorobenzene as a spacer. The presence of the electron-
withdrawing ring activates the selenium atom for anion recognition inducing the formation of selfassembled
supramolecular structures in the presence of chloride or bromide anions, which are bonded
by the cooperative action of hydrogen and chalcogen bonding interactions. DOSY NMR and DLS experiments
provided evidence for the formation of the supramolecular structures only in the presence of a
perfluorobenzene based anion receptor while the analogous benzene one shows the classical anion/
receptor complex without the participation of the selenium atom. The energetic and geometric features
of the complexes of both receptors with the Cl and Br anions have been studied in solution. These results
combined with the molecular electrostatic potential (MEP) surface plots allow us to rationalize the quite
different behaviors of both receptors observed experimentally.
publication.page.subject
Citation
Dalton Transactions, 51(4), 2022:1325-1332
item.page.embargo
Collections
Ir a Estadísticas
Este ítem está sujeto a una licencia Creative Commons. http://creativecommons.org/licenses/by-nc-nd/4.0/