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Crystal structure and photoluminescent properties of a new Eu^III-phthalate-acetate coordination polymer.

ABSTRACT: A new coordination polymer, poly[(acetato)aqua(μ₃-phthalato)europium(III)], [Eu(C₈H₄O₄)(CH₃O₂)(H₂O)] _n or [Eu^III(phth)(OAc)(H₂O)] (phth^2- = phthalate and OAc^- = acetate) was synthesized and characterized, revealing it to be a supra-molecular assembly of one-dimensional [Eu^III(phth)(OAc)(H₂O)] chains. Each chain is built up of edge-sharing distorted tricapped trigonal-prismatic TPRS-{Eu^IIIO₉} building motifs and assembled in a regular fashion through hydrogen-bonding and aromatic π-π inter-actions. The fully deprotonated phth^2- ligand was shown to be an effective sensitizer, promoting the characteristic ⁵ D ₀→⁷ F_J (J = 1-4) emissions of Eu^III even in the presence of the non-sensitizing OAc^- group.

SUBMITTER: Jittipiboonwat P

PROVIDER: S-EPMC9069523 | biostudies-literature | 2022 May

REPOSITORIES: biostudies-literature

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Crystal structure and photoluminescent properties of a new EuIII-phthalate-acetate coordination polymer.

Jittipiboonwat Prakottakarn P Chuasaard Thammanoon T Rujiwatra Apinpus A

Acta crystallographica. Section E, Crystallographic communications 20220428 Pt 5

A new coordination polymer, poly[(acetato)aqua(μ3-phthalato)europium(III)], [Eu(C8H4O4)(CH3O2)(H2O)] n or [EuIII(phth)(OAc)(H2O)] (phth2- = phthalate and OAc- = acetate) was synthesized and characterized, revealing it to be a supra-molecular assembly of one-dimensional [EuIII(phth)(OAc)(H2O)] chains. Each chain is built up of edge-sharin ...[more]

PMID: 35547790

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Project description:Five new Lanthanide(III) complexes of malonic acid (HOOC-CH2-COOH); {[Gd(C3H2O4)(H2O)4]·NO3} n (1), {[Tb(C3H2O4)(H2O)4]·NO3} n (2), {[Ho(C3H2O4)(H2O)4]·NO3} n (3), [Er(C3H2O4)(C3H3O4)(H2O)2] n (4), and {[Eu2(C3H2O4)2(C3H3O4)2(H2O)6]·4H2O} n (5) were synthesized and characterized by elemental, infrared spectral, and thermal analyses. The structures of compounds 1-5 were determined by single crystal X-ray diffraction technique. The X-ray analysis reveals that compounds 1, 2, and 3 are isostructural and crystallized in the orthorhombic space group Pmn21. The lanthanide(III) ions are coordinated by four carboxylate and four water oxygen atoms adopting a distorted square antiprism geometry. The LnO8 square antiprisms are linked into infinite layers by malonate (C3H2 O42- ) dianions sandwiching sheets of nitrate counter ions. Compound 4 contains ErO8 square antiprisms linked into a two-dimensional network by hydrogen malonate (C3H3 O4- ) anions and malonate dianions. The europium complex, 5 is dinuclear having the two europium(III) ions (Eu1 and Eu2) bridged by carboxylate groups of hydrogen malonate ligands. The europium ions in 5 are nine-coordinate and exhibit a distorted monocapped square antiprism geometry. All the structures are consolidated by O-H⋯ O hydrogen bonds. The photoluminescence spectra of 1-5 exhibit characteristic emissions in the visible region. The IR spectra and thermal data are consistent with the structural results. The room-temperature effective magnetic moments for 1-4 are in good agreement with those expected for the free ions, while the data for 5 indicates that low-lying excited states contribute to the observed moment. The compound 1 was further subjected to quantum computational calculations to explore its optoelectronic properties including; density of states (DOS), dielectric function, refractive index, extinction coefficient, and absorption spectrum, to highlight the possible applications of such materials in the optoelectronics.

Dataset Information

Crystal structure and photoluminescent properties of a new Eu^III-phthalate-acetate coordination polymer.

Publications

Crystal structure and photoluminescent properties of a new Eu<sup>III</sup>-phthalate-acetate coordination polymer.

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