Experimental and theoretical structural investigation of an ionic Nd coordination polymer.

Acta Crystallogr C Struct Chem

Grupo de Cristalografia Química (GCQ), Departamento de Química, Universidade Federal de Minas Gerais, Av. Antônio Carlos, 6627, Belo Horizonte, Minas Gerais, Brazil.

Published: October 2024

AI Article Synopsis

  • Research has focused on coordination polymers for their diverse structures and stability, leading to the synthesis of a unique ionic neodymium coordination polymer.
  • This polymer features a one-dimensional anionic structure linked to a three-dimensional cationic polymer, utilizing ligands like 4-sulfobenzoate and isoniazid, an antibiotic.
  • The crystallization occurs in a monoclinic space group, stabilized primarily by hydrogen bonds and van der Waals interactions, forming a specific tetragonal net structure.

Article Abstract

Research concerning coordination polymers has been intense due to their significant variability and structural stability. With this in mind, an ionic neodymium coordination polymer was synthesized, composed of an anionic one-dimensional polymer interconnected to a cationic three-dimensional porous polymer, poly[dodecaaquabis(μ-pyridine-4-carbohydrazide-κN:O)bis(μ-4-sulfobenzoato-κO:O')bis(μ-4-sulfobenzoato-κO:O':O'')trineodymium(III)] catena-poly[aquabis(μ-pyridine-4-carbohydrazide-κN:O)bis(μ-4-sulfobenzoato-κO:O')neodymium(III)] 4.33-hydrate, {[Nd(CHOS)(CHNO)(HO)][Nd(CHOS)(CHNO)(HO)]·4.33HO}. The ligands used were 4-sulfobenzoate (PSB) and pyridine-4-carbohydrazide, popularly known as isoniazid (INH), an antibiotic drug. The compound crystallizes in the monoclinic space group C2/c, with Z = 4. Solid-state calculations suggest that the crystal structure is mainly stabilized by hydrogen bonds, i.e. O-H...O and N-H...O interactions among the polymers, and by van der Waals interactions involving the organic side chains. This net is tetragonal, 2-nodal 3,4-connected, and can be described as the dmd (sqc 528) type.

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Source
http://dx.doi.org/10.1107/S2053229624008428DOI Listing

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