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Abstract <p>A new metal–organic coordination polymer (MOCP) {La<sub>2</sub>(nBrTerPDC)<sub>3</sub>DMSO<sub>3</sub>} has been synthesized by a solvothermal reaction (in a DMSO/1,4-dioxane solution) between lanthanum(III) nitrate and a brominated terphenyl dicarboxylic acid derivative nBrTerPDC. The structure of this MOCP was solved for the first time by direct methods using X-ray diffraction data. Selected details of the structure solution and parameters of the experiment carried out on the Belok/RSA diffraction beamline at the Kurchatov synchrotron radiation source (λ = 0.7527) are as follows: C<sub>36</sub>H<sub>30</sub>Br<sub>9</sub>LaO<sub>9</sub>S<sub>3</sub>, FW 1560.88; space group <i>P</i><InlineEquation ID="IEq1"> <EquationSource Format="TEX">\(\bar {3}\)</EquationSource> <!--DANPC2560060Osipov-m1--> </InlineEquation>, <i>a</i> = <i>b</i> = 26.822(4) Å, <i>c</i> = 8.6710(17) Å, α = β = 90°, γ = 120°, <i>V</i> = 5402.3(19) Å<sup>3</sup>, <i>F</i>(000) = 1476.0, absorption coefficient μ = 4.399 mm<sup>–1</sup>, crystal dimensions 0.2 × 0.02 × 0.02 mm, reflection index ranges –21 ≤ <i>h</i> ≤ 32, –32 ≤ <i>k</i> ≤ 32, –10 ≤ <i>l</i> ≤ 9; total reflections 17&#xa0;717, independent reflections 6459, <i>R</i><sub>int</sub> 0.1072, residual electron density 1.31/–0.62 e/Å<sup>3</sup>. The unit cell contains two structurally unrelated La<sup>3+</sup> cations. The relatively high factor <i>R</i><sub>1</sub> = 0.1942 is associated with disorder in the arrangement and degree of occupancy of bromine atoms. This is a consequence of that during the bromination of terphenyl dicarboxylic acid dimethyl ester, bromine attaches to both the central and peripheral aromatic rings of the acid, forming many homologues, presumably mono-, di-, tri-, tetra-, penta-, and hexabromo derivatives, including positional isomers.</p>

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Synthesis and Structure of Metal–Organic Coordination Polymer Based on Lanthanum(III) and Brominated Terphenyldicarboxylic Acid

  • 期刊论文

  • 发表日期：

    2025年8月1日

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  • A. A. Osipov,
  • A. N. Efremov,
  • K. Rajakumar,
  • S. A. Nayfert,
  • P. V. Dorovatovskii,
  • D. A. Zherebtsov,
  • S. A. Adonin

摘要

Abstract

A new metal–organic coordination polymer (MOCP) {La2(nBrTerPDC)3DMSO3} has been synthesized by a solvothermal reaction (in a DMSO/1,4-dioxane solution) between lanthanum(III) nitrate and a brominated terphenyl dicarboxylic acid derivative nBrTerPDC. The structure of this MOCP was solved for the first time by direct methods using X-ray diffraction data. Selected details of the structure solution and parameters of the experiment carried out on the Belok/RSA diffraction beamline at the Kurchatov synchrotron radiation source (λ = 0.7527) are as follows: C36H30Br9LaO9S3, FW 1560.88; space group P \(\bar {3}\) , a = b = 26.822(4) Å, c = 8.6710(17) Å, α = β = 90°, γ = 120°, V = 5402.3(19) Å3, F(000) = 1476.0, absorption coefficient μ = 4.399 mm–1, crystal dimensions 0.2 × 0.02 × 0.02 mm, reflection index ranges –21 ≤ h ≤ 32, –32 ≤ k ≤ 32, –10 ≤ l ≤ 9; total reflections 17 717, independent reflections 6459, Rint 0.1072, residual electron density 1.31/–0.62 e/Å3. The unit cell contains two structurally unrelated La3+ cations. The relatively high factor R1 = 0.1942 is associated with disorder in the arrangement and degree of occupancy of bromine atoms. This is a consequence of that during the bromination of terphenyl dicarboxylic acid dimethyl ester, bromine attaches to both the central and peripheral aromatic rings of the acid, forming many homologues, presumably mono-, di-, tri-, tetra-, penta-, and hexabromo derivatives, including positional isomers.