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Ionothermal Synthesis of Cadmium Coordination Polymers: Ionic Liquid Effects on the Synthesis, Structural, and Thermal Characterization.

ABSTRACT: Ionothermal synthesis is a little used method for the preparation of coordination polymers. By this method, two cadmium compounds were synthesized, 1, with formula Cd3(ox)F2(Ina)2 (Ina = isonicotinate) and 2, Cd(NO3)2(4,4'-Bpy) (4,4'-Bpy = 4,4'-Bipyridine). The modification of the reaction conditions has allowed to obtain 2 as a pure phase. The structure of both compounds was determined by a single-crystal X-ray diffraction. Compound 1 is isostructural to the previously reported Cd2Zn(ox)(OH)2(Ina)2. It crystallizes in the monoclinic space group P21/n and present a three-dimensional (3D) network, built-up from [Cd3(ox)F2]n2n+ layers, linked by isonicotinate ligands. Crystals of 2 are formed by twins of two components which are rotated ca. 180° to each other. This compound crystallizes in the triclinic P-1 space group and its structure can be describe as a two-dimensional (2D) 4 connected 'sql' net. The layers are composed by [Cd(NO3)2]n chains linked through 4,4'-Bpy ligands, and are pillared along the [011] direction. The thermal decomposition of 2 was studied by thermogravimetric and thermodiffractiometric techniques. The compound decomposes gradually starting from 160 °C, and due to heating, the structure suffers slight reversible changes in the bond distances and angles.

SUBMITTER: PerezF I

PROVIDER: S-EPMC6891532 | biostudies-literature | 2019 Nov

REPOSITORIES: biostudies-literature

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Ionothermal Synthesis of Cadmium Coordination Polymers: Ionic Liquid Effects on the Synthesis, Structural, and Thermal Characterization.

PerezF Iñigo I S Larrea Edurne E Bazán Begoña B Barandika Gotzone G Urtiaga M Karmele MK Arriortua Maria I MI

Molecules (Basel, Switzerland) 20191109 22

Ionothermal synthesis is a little used method for the preparation of coordination polymers. By this method, two cadmium compounds were synthesized, 1, with formula Cd3(ox)F2(Ina)2 (Ina = isonicotinate) and 2, Cd(NO3)2(4,4'-Bpy) (4,4'-Bpy = 4,4'-Bipyridine). The modification of the reaction conditions has allowed to obtain 2 as a pure phase. The structure of both compounds was determined by a single-crystal X-ray diffract ...[more]

PMID: 31717565

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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

Ionothermal Synthesis of Cadmium Coordination Polymers: Ionic Liquid Effects on the Synthesis, Structural, and Thermal Characterization.

Publications

Ionothermal Synthesis of Cadmium Coordination Polymers: Ionic Liquid Effects on the Synthesis, Structural, and Thermal Characterization.

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