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Pyrrole-Pyridine and Pyrrole-Naphthyridine Hosts for Anion Recognition

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dc.contributor.authorGarcía, María Ángeles
dc.contributor.authorFarrán, María Ángeles
dc.contributor.authorSanta María, Dolores
dc.contributor.authorClaramunt, Rosa M.
dc.contributor.authorTorralba Martínez, María Del Carmen
dc.contributor.authorTorres, María del Rosario
dc.contributor.authorJaime, Carlos
dc.contributor.authorElguero, José
dc.date.accessioned2023-06-18T06:05:48Z
dc.date.available2023-06-18T06:05:48Z
dc.date.issued2015-05-27
dc.description.abstractThe association constants of the complexes formed by two hosts containing pyrrole, amide and azine (pyridine and 1,8-naphthyridine) groups and six guests, all monoanions (Cl−, CH3CO2−, NO3−, H2PO4−, BF4−, PF6−), have been determined using NMR titrations. The X-ray crystal structure of the host N2,N5-bis(6-methylpyridin-2-yl)-3,4-diphenyl-1H-pyrrole- 2,5-dicarboxamide (1) has been solved (P21/c monoclinic space group). B3LYP/6-31G(d,p) and calculations were carried out in an attempt to rationalize the trends observed in the experimental association constants.
dc.description.departmentDepto. de Química Inorgánica
dc.description.facultyFac. de Ciencias Químicas
dc.description.refereedTRUE
dc.description.sponsorshipMinisterio de Ciencia e Innovación (MICINN)
dc.description.sponsorshipMinisterio de Economía y Competitividad (MINECO)
dc.description.sponsorshipComunidad de Madrid
dc.description.statuspub
dc.eprint.idhttps://eprints.ucm.es/id/eprint/66550
dc.identifier.doi10.3390/molecules20069862
dc.identifier.issn1420-3049
dc.identifier.officialurlhttps://doi.org/10.3390/molecules20069862
dc.identifier.relatedurlhttps://www.mdpi.com/1420-3049/20/6/9862
dc.identifier.urihttps://hdl.handle.net/20.500.14352/23875
dc.issue.number6
dc.journal.titleMolecules
dc.language.isoeng
dc.page.final9878
dc.page.initial9862
dc.publisherMDPI
dc.relation.projectIDCTQ2010-16122
dc.relation.projectIDCTQ2014-56833-R y CTQ2012-35513-C02-02
dc.relation.projectIDFOTOCARBON (S2013/MIT-2841)
dc.rightsAtribución 3.0 España
dc.rights.accessRightsopen access
dc.rights.urihttps://creativecommons.org/licenses/by/3.0/es/
dc.subject.keywordanion binding
dc.subject.keywordNMR titrations
dc.subject.keywordassociation constants
dc.subject.keywordB3LYP/6-31G(d
dc.subject.keywordp) calculations
dc.subject.keywordX-ray structures
dc.subject.ucmQuímica inorgánica (Química)
dc.subject.unesco2303 Química Inorgánica
dc.titlePyrrole-Pyridine and Pyrrole-Naphthyridine Hosts for Anion Recognition
dc.typejournal article
dc.volume.number20
dspace.entity.typePublication
relation.isAuthorOfPublication306d75e7-79de-4cd8-8695-767cd90e8eaf
relation.isAuthorOfPublication.latestForDiscovery306d75e7-79de-4cd8-8695-767cd90e8eaf

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