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dc.contributor.authorLópez Alonso, Juan Carlos 
dc.contributor.authorPérez, Cristóbal
dc.contributor.authorBlanco Rodríguez, Susana 
dc.contributor.authorShubert, V. Alvin
dc.contributor.authorTemelso, Berhane
dc.contributor.authorShields, George C.
dc.contributor.authorSchnell, Melanie
dc.date.accessioned2021-04-20T15:28:25Z
dc.date.available2021-04-20T15:28:25Z
dc.date.issued2019
dc.identifier.citationPhysical Chemistry Chemical Physics, 2019, 21, 2875-2881es
dc.identifier.issn1463-9076es
dc.identifier.urihttp://uvadoc.uva.es/handle/10324/46300
dc.description.abstract15‐crown‐5 ether (15C5) and its complexes with water (w) have been studied using broadband Fourier transform microwave spectroscopy in a supersonic jet. A new conformer of 15C5 has been observed and established as the new global minimum out of a total of nine isolated structures. In addition, two 15C5‐w and two 15C5‐w2 clusters have been observed. The cluster structures have been unambiguously identified through the observation of water 18O isotopologue spectra. In all the clusters, at least one water molecule, located close to the axis of the 15C5 ring, interacts through two simultaneous hydrogen bonds to the endocyclic oxygen atoms. This interaction reshapes the 15C5 ring to reduce its rich conformational landscape to only two open structures, related to those found in complexes with Li+ or Na+ ions. In the most abundant 15C5‐w2 form, the two water molecules repeat the same interaction scheme while binding to opposite sides of the ring. In the second most abundant dihydrated form the two water molecules lie on the same side of the ring. This finding is exceptionally rare because water‐water interactions typically prevail over the formation of additional solutewater contacts, and it showcases the particular binding features of crown ethers.es
dc.format.mimetypeapplication/pdfes
dc.language.isospaes
dc.publisherRoyal Society of Chemistryes
dc.rights.accessRightsinfo:eu-repo/semantics/openAccesses
dc.subjectEspectroscopía de rotaciónes
dc.subjectQuimicaes
dc.subject.classificationcrown ether 15c5es
dc.subject.classificationmicrosolvationes
dc.subject.classificationrotational spectroscopyes
dc.subject.classificationWater clusteres
dc.subject.classificationstructurees
dc.titleWater induces the same crown shapes as Li+ or Na+ in 15-crown-5 ether: a broadband rotational studyes
dc.typeinfo:eu-repo/semantics/articlees
dc.rights.holderRoyal Society of Chemistryes
dc.identifier.doi10.1039/c8cp05552aes
dc.relation.publisherversionhttps://pubs.rsc.org/en/content/articlelanding/2019/cp/c8cp05552a#!divAbstractes
dc.identifier.publicationfirstpage2875es
dc.identifier.publicationissue6es
dc.identifier.publicationlastpage2881es
dc.identifier.publicationtitlePhysical Chemistry Chemical Physicses
dc.identifier.publicationvolume21es
dc.peerreviewedSIes
dc.description.projectMinisterio de economia, industria y competitividad CTQ2016-75253-Pes
dc.identifier.essn1463-9084es
dc.type.hasVersioninfo:eu-repo/semantics/draftes
dc.subject.unesco23 Químicaes
dc.subject.unesco2301.13 Espectroscopia de Microondases
dc.subject.unesco2307 Química Físicaes


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