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dc.contributor.authorDrouza, Chryssoulaen
dc.contributor.authorGramlich, V.en
dc.contributor.authorSigalas, Michael P.en
dc.contributor.authorPashalidis, Ioannisen
dc.contributor.authorKeramidas, Anastasios D.en
dc.creatorDrouza, Chryssoulaen
dc.creatorGramlich, V.en
dc.creatorSigalas, Michael P.en
dc.creatorPashalidis, Ioannisen
dc.creatorKeramidas, Anastasios D.en
dc.description.abstract293(2) K) are as follows: (1) monoclinic space group C2/c, a = 14.561(7) Å, b = 14.871(9) Å, c = 7.250(4) Å, β = 95.40(4)°, Z = 4el
dc.description.abstract(2) monoclinic space group P21/c, a = 19.080(2) Å, b = 9.834(1) Å, c = 15.156(2) Å, β = 104.62(1)°, Z = 4. 1H NMR measurements indicate that complex 2 retains its structure in CD3CN solutionel
dc.description.abstractReaction of [UO2(NO3)2] with the hydroxy ketones 3-hydroxy-2-methyl-4-pyrone (Hma) and 3-hydroxy-1,2-dimethyl-4(1H)- pyridone (Hdpp)(Hdpp) in aqueous acidic solutions (pH ∼ 3) yields the compounds [UO2(ma)2(H2O)]·H2O (1·H2O) and [UO2(dpp)(Hdpp)2(H 2O)]ClO4 (2), respectively. X-ray diffraction shows that the geometry around the metal ion in both complexes is pentagonal bipyramid. Uranium ion in the crystal structure of 1 were found to be ligated with two chelate ma- groups and one unidentate H2O molecule (C coordination mode) at the equatorial plane, while in 2 with two single-bonded Hdpp there were one chelate dpp- and one H2O molecule (P coordination mode). Crystal data (Mo Kαen
dc.description.abstracthowever, in DMSO-d6 both complexes adopt the C structure. Line-shape analysis for the 1H NMR peaks of 2 at various temperatures shows a fast intramolecular exchange process between the chelate dpp- and one of the single bonded Hdpp ligands and one slower exchange between all three ligands. The activation parameters and the decrease of the exchange rate by replacing unidentate ligand with DMSO indicate the dissociation of the unidentate ligand as the rate-determining step for the former exchange. Density functional calculations (DFT) support this mechanism and give a quantitative interpretation of the electronic structure of the two ligands and the geometries adopted by the complexes.en
dc.sourceInorganic chemistryen
dc.subjectcrystal structureen
dc.subjectX ray diffractionen
dc.subjectchemical reactionen
dc.subjectaqueous solutionen
dc.subjectproton nuclear magnetic resonanceen
dc.subjectdimethyl sulfoxideen
dc.subjectmetal ionen
dc.subjecturanium derivativeen
dc.subjecturanium dioxideen
dc.titleSynthesis, structure, and solution dynamics of UO2 2+-hydroxy ketone compounds [UO2(ma)2(H 2O)] and [UO2(dpp)(Hdpp)2(H2O)] ClO4 [ma = 3-hydroxy-2-methyl-4-pyrone, Hdpp = 3-hydroxy-1,2- dimethyl-4(1H)-pyridone]en
dc.description.endingpage8345 Σχολή Θετικών και Εφαρμοσμένων Επιστημών / Faculty of Pure and Applied SciencesΤμήμα Χημείας / Department of Chemistry
dc.description.notes<p>Cited By :9</p>en
dc.contributor.orcidPashalidis, Ioannis [0000-0002-7587-6395]
dc.contributor.orcidKeramidas, Anastasios D. [0000-0002-0446-8220]
dc.contributor.orcidDrouza, Chryssoula [0000-0002-2630-4323]

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