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dc.contributor.authorBazaga García, Montse
dc.contributor.authorPapadaki, M.
dc.contributor.authorColodrero, Rosario M.P.
dc.contributor.authorOlivera-Pastor, Pascual 
dc.contributor.authorLosilla, Enrique R.
dc.contributor.authorNieto-Ortega, Belén
dc.contributor.authorG. Aranda, Miguel Ángel
dc.contributor.authorChoquesillo-Lazarte, Duane
dc.contributor.authorCabeza-Diaz, Aurelio 
dc.contributor.authorDemadis, Konstantinos D.
dc.date.accessioned2021-03-04T10:27:32Z
dc.date.available2021-03-04T10:27:32Z
dc.date.created2021
dc.date.issued2014-12-20
dc.identifier.citationChem. Mater. 2015, 27, 424−435es_ES
dc.identifier.urihttps://hdl.handle.net/10630/21020
dc.description.abstractThe structural and functional chemistry of a family of alkali-metal ions with racemic R,S-hydroxyphosphonoacetate (M-HPAA; M = Li, Na, K, Cs) are reported. Crystal structures were determined by X-ray data (Li+, powder diffraction following an ab initio methodology; Na+, K+, Cs+, single crystal). A gradual increase in dimensionality directly proportional to the alkali ionic radius was observed. [Li3(OOCCH(OH)PO3)-(H2O)4]·H2O (Li-HPAA) shows a 1D framework built up by Li-ligand “slabs” with Li+ in three different coordination environments (4-, 5-, and 6-coordinated). Na-HPAA, Na2(OOCCH(OH)PO3H)(H2O)4, exhibits a pillared layered “house of cards” structure, while K-HPAA, K2(OOCCH(OH)PO3H)(H2O)2, and Cs-HPAA, Cs(HOOCCH(OH)-PO3H), typically present intricate 3D frameworks. Strong hydrogen-bonded networks are created even if no water is present, as is the case in Cs-HPAA. As a result, all compounds show proton conductivity in the range 3.5 × 10−5 S cm−1 (Cs-HPAA) to 5.6 × 10−3 S cm−1 (Na-HPAA) at 98% RH and T = 24 °C. Differences in proton conduction mechanisms, Grothuss (Na+ and Cs+) or vehicular (Li+ and K+), are attributed to the different roles played by water molecules and/or proton transfer pathways between phosphonate and carboxylate groups of the ligand HPAA. Upon slow crystallization, partial enrichment in the S enantiomer of the ligand is observed for Na-HPAA, while the Cs-HPAA is a chiral compound containing only the S enantiomer.es_ES
dc.description.sponsorshipProyectos nacionales MAT2010-15175 y MAT2013-41836-Res_ES
dc.language.isoenges_ES
dc.publisherAmerican Chemical Societyes_ES
dc.rightsinfo:eu-repo/semantics/openAccesses_ES
dc.subjectQuímica inorgánicaes_ES
dc.subject.otherAlkali Metal Phosphonocarboxylateses_ES
dc.subject.otherX-ray diffractiones_ES
dc.subject.otherR,S-hydroxyphosphonoacetatees_ES
dc.subject.otherMetal phosphonateses_ES
dc.subject.otherProton conductivityes_ES
dc.titleTuning Proton Conductivity in Alkali Metal Phosphonocarboxylates by Cation Size-Induced and Water-Facilitated Proton Transfer Pathwayses_ES
dc.typeinfo:eu-repo/semantics/articlees_ES
dc.centroFacultad de Cienciases_ES
dc.identifier.doi10.1021/cm502716e
dc.type.hasVersioninfo:eu-repo/semantics/publishedVersiones_ES


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