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Encapsulation of Astatide by a water cage

dc.contributor.authorGómez S
dc.contributor.authorFlórez E
dc.contributor.authorAcelas N
dc.contributor.authorHadad C
dc.contributor.authorRestrepo A.
dc.date.accessioned2023-10-24T19:24:02Z
dc.date.available2023-10-24T19:24:02Z
dc.date.created2023
dc.identifier.issn14639076
dc.identifier.urihttp://hdl.handle.net/11407/7910
dc.description.abstractA 512 cage of (H2O)20 consisting of 30 hydrogen bonds encapsulates Astatide with little geometrical distortion. The cage is marginally destabilized but the non-covalent interactions are actually strengthened. Host⋯cage interactions in the [At@(H2O)20]− cluster are anti-electrostatic, placing both negatively charged atoms in direct contact as in Atδ−⋯δ−O-Hδ+. An orbital interaction analysis reveals that explicit host⋯cage contacts are “inverted” hydrogen bonds. That is, the same type of donor→acceptor charge transfer as in hydrogen bonding, with no proton bridging the two negative charges. © 2023 The Royal Society of Chemistry.eng
dc.language.isoeng
dc.publisherRoyal Society of Chemistry
dc.relation.isversionofhttps://www.scopus.com/inward/record.uri?eid=2-s2.0-85153481564&doi=10.1039%2fd3cp00720k&partnerID=40&md5=f932aa00c5f0a36b2ac68f92040aea09
dc.sourcePhys. Chem. Chem. Phys.
dc.sourcePhysical Chemistry Chemical Physicseng
dc.titleEncapsulation of Astatide by a water cageeng
dc.typeArticle
dc.rights.accessrightsinfo:eu-repo/semantics/restrictedAccess
dc.publisher.programCiencias Básicasspa
dc.type.spaArtículo
dc.identifier.doi10.1039/d3cp00720k
dc.publisher.facultyFacultad de Ciencias Básicasspa
dc.affiliationGómez, S., Scuola Normale Superiore, Classe di Scienze, Piazza dei Cavalieri 7, Pisa, 56126, Italy
dc.affiliationFlórez, E., Grupo de Materiales con Impacto, Mat&mpac. Facultad de Ciencias Básicas, Universidad de Medellín, Carrera 87 No. 30-65, Medellín, 050026, Colombia
dc.affiliationAcelas, N., Grupo de Materiales con Impacto, Mat&mpac. Facultad de Ciencias Básicas, Universidad de Medellín, Carrera 87 No. 30-65, Medellín, 050026, Colombia
dc.affiliationHadad, C., Instituto de Química, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín, Colombia
dc.affiliationRestrepo, A., Instituto de Química, Universidad de Antioquia UdeA, Calle 70 No. 52-21, Medellín, Colombia
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dc.type.versioninfo:eu-repo/semantics/publishedVersion
dc.identifier.reponamereponame:Repositorio Institucional Universidad de Medellín
dc.identifier.repourlrepourl:https://repository.udem.edu.co/
dc.identifier.instnameinstname:Universidad de Medellín


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