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<p>The Cd(<span>ii</span>) complexes with 2,4-dinitrobenzoate (2,4-dnb) or 3,5-dinitrobenzoate (3,5-dnb) anions and 1,10-phenanthroline (phen), 2,2′-bipyridine (bpy), and 4,4′-dimethyl-2,2′-bipyridine (Me<sub>2</sub>bpy) molecules of the composition [Cd(H<sub>2</sub>O)<sub>2</sub>(phen)(2,4-dnb)<sub>2</sub>] (<b>1</b>), [Cd<sub>2</sub>(bpy)<sub>2</sub>(2,4-dnb)<sub>4</sub>] (<b>2</b>), [Cd(Me<sub>2</sub>bpy)(2,4-dnb)<sub>2</sub>]<sub><i>n</i></sub> (<b>3</b>), [Cd<sub>2</sub>(H<sub>2</sub>O)<sub>2</sub>(Me<sub>2</sub>bpy)<sub>2</sub>(2,4-dnb)<sub>4</sub>] (<b>4</b>), [Cd<sub>2</sub>(phen)<sub>2</sub>(3,5-dnb)<sub>4</sub>]•2MeCN (<b>5</b>), and [Cd(H<sub>2</sub>O)(Me<sub>2</sub>bpy)(3,5-dnb)<sub>2</sub>]•THF (<b>6</b>) were studied. The influence of different factors on the composition and the structure of the new compounds was revealed by varying the combination of monocarboxylate anions and <i>N</i>-donor ligands and using different synthesis and crystallization conditions. A combination of 2,4-dinitrobenzoate anions with Me<sub>2</sub>bpy allowed the synthesis of coordination polymer <b>3</b> and binuclear complex <b>4</b>, which is completed with water molecules, using the same chelating ligand. Therefore, this system was studied by quantum chemical calculations. These calculations provided an explanation of the experimental results. The synthesized complexes were characterized by X-ray diffraction, IR spectroscopy, and CHN elemental analysis. The structures and the crystal packing of the new complexes were analyzed in detail. The main structure-forming non-covalent interactions in the crystals were identified.</p>

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Influence of non-covalent interactions and the nature of N-donor chelating ligands on the structure of cadmium 2,4- and 3,5-dinitrobenzoate complexes

  • 期刊论文

  • 发表日期：

    2026年3月1日

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  • A. S. Chistyakov,
  • M. A. Shmelev,
  • A. E. Bolot’ko,
  • G. A. Razgonyaeva,
  • A. V. Rogachev,
  • A. G. Starikov,
  • A. A. Sidorov,
  • I. L. Eremenko

摘要

The Cd(ii) complexes with 2,4-dinitrobenzoate (2,4-dnb) or 3,5-dinitrobenzoate (3,5-dnb) anions and 1,10-phenanthroline (phen), 2,2′-bipyridine (bpy), and 4,4′-dimethyl-2,2′-bipyridine (Me2bpy) molecules of the composition [Cd(H2O)2(phen)(2,4-dnb)2] (1), [Cd2(bpy)2(2,4-dnb)4] (2), [Cd(Me2bpy)(2,4-dnb)2]n (3), [Cd2(H2O)2(Me2bpy)2(2,4-dnb)4] (4), [Cd2(phen)2(3,5-dnb)4]•2MeCN (5), and [Cd(H2O)(Me2bpy)(3,5-dnb)2]•THF (6) were studied. The influence of different factors on the composition and the structure of the new compounds was revealed by varying the combination of monocarboxylate anions and N-donor ligands and using different synthesis and crystallization conditions. A combination of 2,4-dinitrobenzoate anions with Me2bpy allowed the synthesis of coordination polymer 3 and binuclear complex 4, which is completed with water molecules, using the same chelating ligand. Therefore, this system was studied by quantum chemical calculations. These calculations provided an explanation of the experimental results. The synthesized complexes were characterized by X-ray diffraction, IR spectroscopy, and CHN elemental analysis. The structures and the crystal packing of the new complexes were analyzed in detail. The main structure-forming non-covalent interactions in the crystals were identified.