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A new solvated complex of the uranyl ion (UO22+) with 8-hydroxyquinoline

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dc.contributor.author Mirzaei, Masoud
dc.contributor.author Hassanpoor, Azam
dc.contributor.author Mague, Joel T.
dc.contributor.author Bauzá Riera, Antonio
dc.contributor.author Frontera Beccaria, Antonio
dc.date.accessioned 2018-10-05T11:09:16Z
dc.identifier.uri http://hdl.handle.net/11201/147969
dc.description.abstract [eng] A new solvated complex of the uranyl ion, [UO2(quin)2(H'quin)] DMF (1), (Hquin = 8-hydroxyquinoline and H'quin = quinolinium-8-olate, i.e. the zwitterionic form of Hquin) was synthesized and investigated by means of elemental analysis, IR spectroscopy and X-ray crystallography. Interestingly one coordinated 8-hydroxyquinoline is protonated, thus provoking the simultaneous existence of an electron rich and electron poor ring in the same molecule. This clearly enhances the ability of this ring to form antiparallel stacking interactions that are responsible for the solid state architecture of compound 1. This aspect has been analyzed by means of density functional theory calculations (DFT), molecular electrostatic potential (MEP) tool and Bader's theory of ''atoms in molecules''.
dc.format application/pdf
dc.relation.isformatof Versió postprint del document publicat a: https://doi.org/10.1016/j.ica.2014.10.032
dc.relation.ispartof Inorganica Chimica Acta, 2015, vol. 426, p. 136-141
dc.subject.classification 54 - Química
dc.subject.other 54 - Chemistry. Crystallography. Mineralogy
dc.title A new solvated complex of the uranyl ion (UO22+) with 8-hydroxyquinoline
dc.type info:eu-repo/semantics/article
dc.type info:eu-repo/semantics/acceptedVersion
dc.date.updated 2018-10-05T11:09:16Z
dc.date.embargoEndDate info:eu-repo/date/embargoEnd/2078-01-01
dc.embargo 2078-01-01
dc.rights.accessRights info:eu-repo/semantics/embargoedAccess
dc.identifier.doi https://doi.org/10.1016/j.ica.2014.10.032


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