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Host–guest complexes vs. supramolecular polymers in chalcogen bonding receptors: an experimental and theoretical study

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dc.contributor.authorNavarro García, Encarnación
dc.contributor.authorGalmés, Bartomeu
dc.contributor.authorEsquivel, José Luis
dc.contributor.authorVelasco, María D.
dc.contributor.authorBastida, Adolfo
dc.contributor.authorZapata Fernández, Fabiola
dc.contributor.authorCaballero, Antonio
dc.contributor.authorFrontera, Antonio
dc.contributor.departmentQuímica Orgánica
dc.date.accessioned2024-02-07T08:47:34Z
dc.date.available2024-02-07T08:47:34Z
dc.date.issued2022-01-25
dc.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
dc.description.abstractWe 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.es
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dc.format.extent8es
dc.identifier.citationDalton Transactions, 51(4), 2022:1325-1332
dc.identifier.doihttps://doi.org/10.1039/D1DT03925C
dc.identifier.issnPrint: 1477-9226
dc.identifier.issnElectronic: 1477-9234
dc.identifier.urihttp://hdl.handle.net/10201/138824
dc.languageenges
dc.publisherRoyal Society of Chemistryes
dc.relationMICIU/AEI (projects CTQ2017-86775-P, CTQ2016-79345P, PID2020-113483GB-I00, PID2020- 115637GB-I00 and RED2018-102331-T FEDER funds) and the Fundación Séneca Región de Murcia (CARM) (projects 20819/ PI/18 and 20789/PI/18)es
dc.rightsinfo:eu-repo/semantics/openAccesses
dc.rightsAttribution-NoCommercial-NoDerivatives 4.0 Internacional
dc.rights.urihttp://creativecommons.org/licenses/by-nc-nd/4.0/
dc.subjectChalcogen bondinges
dc.subjectAnion receptor
dc.subjectHost-guest
dc.subjectSupramolecular polymers
dc.subject.otherCDU::5 - Ciencias puras y naturales::54 - Química::547 - Química orgánicaes
dc.titleHost–guest complexes vs. supramolecular polymers in chalcogen bonding receptors: an experimental and theoretical studyes
dc.typeinfo:eu-repo/semantics/articlees
dspace.entity.typePublicationes
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