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Anionic lanthanide complexes with 3-methyl-1-phenyl-4-formylpyrazole-5-one and hydroxonium as counter ion.

ABSTRACT: A series of [H₃O]⁺[LnL₄]^-·nH₂O complexes (n = 1-3, Ln = Nd, (1), Sm (2), Eu (3), Tb (4); HL = 3-methyl-1-phenyl-4-formylpyrazole-5-one) were synthesized and characterized. The structures of the Sm^III and Eu^III complexes were investigated by X-ray diffraction. The isostructutal crystalls 2 and 3 consist the tetrakis [LnL₄]^- anions which are linked by H-bonding with the hydroxonium counter-ion and water molecules. The lanthanide ion is situated in the center of distorted tetragonal antiprism formed by eight oxygen atoms of 4-formyl-5-hydroxypyrazolonate anions. The Tb^III and Sm^III complexes show strong luminescence in solid state, whereas the Eu^III and Nd^III complexes show low luminescence activity.

SUBMITTER: Shul'gin VF

PROVIDER: S-EPMC3688536 | biostudies-literature |

REPOSITORIES: biostudies-literature

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Project description:The three isomorphous [3.3.1] metallacryptate complexes bis-(pyridinium) di-aqua-dipyridine-hexa-kis-[μ3-salicyl-hydroximato(3-)]bis-[μ2-salicyl-hydroxim-ato(1-)]hexa-aluminiumgadolinium-pyridine-water (1/7.396/1), (C5H6N)2[GdAl6(C7H6NO3)2(C7H4NO3)7(C5H5N)1.855(H2O)2]·7.396C5H5N·H2O or [Hpy]2[GdAl6(H2shi)2(shi)7(py)1.855(H2O)2]·7.396py·H2O, 1, bis-(pyridinium) di-aqua-dipyridine-hexa-kis-[μ3-salicyl-hydroximato(3-)]bis-[μ2-salicyl-hydroxim-ato(1-)]hexa-aluminiumdysprosium-pyridine-water (1/7.429/1), (C5H6N)2[DyAl6(C7H6NO3)2(C7H4NO3)7(C5H5N)1.855(H2O)2]·7.429C5H5N·H2O or [Hpy]2[DyAl6(H2shi)2(shi)7(py)1.891(H2O)2]·7.429py·H2O, 2, and bis-(pyrid-in-ium) di-aqua-dipyridine-hexa-kis-[μ3-salicyl-hydroximato(3-)]bis-[μ2-salicyl-hydrox-imato(1-)]hexa-aluminiumytterbium-pyridine-water (1/7.386/1), (C5H6N)2[YbAl6(C7H6NO3)2(C7H4NO3)7(C5H5N)1.855(H2O)2]·7.429C5H5N·H2O or [Hpy]2[YbAl6(H2shi)2(shi)7(py)1.818(H2O)2]·7.386py·H2O, 3, where Hpy+ is pyridinium, shi3- is salicyl-hydroximate, and py is pyridine, consist of an aluminium-based metallacryptand that captures an Ln III ion in the central cavity. The metallacryptand portions are comprised of an Al-N-O repeat unit; thus, they can be considered three-dimensional metallacrowns. The encapsulated Ln III ions are nine-coordinate with a spherical capped-square-anti-prism geometry, while the six AlIII ions are all octa-hedral. Four of the AlIII ions are chiral centers with 2 Δ and 2 Λ stereoconfigurations. The remaining two AlIII ions have trans chelate rings from two different shi3- ligands. For 1-3, a section of the main mol-ecule is disordered induced by the presence or absence of a pyridine ligand coordinated to one of the AlIII ions. In the absence of the pyridine moiety, an H2shi- ligand moves into the space otherwise occupied by the pyridine and the phenol oxygen atom coordinates to the AlIII ion. The movement of the H2shi- ligand induces movement for the Ln III ion, for another AlIII ion that also binds the same H2shi- ligand, and for one of the shi3- ligands coordinated to the latter AlIII ion. For 1-3 the occupancy ratio of the metallacryptand portions refined to 0.8550 (13):0.1450 (13), to 0.8909 (13):0.1091 (13), and to 0.8181 (14):0.1819 (14), respectively.

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Anionic lanthanide complexes with 3-methyl-1-phenyl-4-formylpyrazole-5-one and hydroxonium as counter ion.

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