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An Oxalate-Bridged Copper(II) Complex Combining Monodentate Benzoate, 2,2′-bipyridine and Aqua Ligands: Synthesis, Crystal Structure and Investigation of Magnetic Properties
A dinuclear copper(II) complex of formula [{Cu(bipy)(bzt)(OH(2))}(2)(μ-ox)] (1) (where bipy = 2,2′-bipyridine, bzt = benzoate and ox = oxalate) was synthesised and characterised by diffractometric (powder and single-crystal XRD) and thermogravimetric (TG/DTG) analyses, spectroscopic techniques (IR,...
Autores principales: | , , , , , , , |
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Formato: | Online Artículo Texto |
Lenguaje: | English |
Publicado: |
MDPI
2020
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Materias: | |
Acceso en línea: | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7221668/ https://www.ncbi.nlm.nih.gov/pubmed/32326057 http://dx.doi.org/10.3390/molecules25081898 |
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author | Santana, Francielli Sousa Briganti, Matteo Cassaro, Rafael A. Allão Totti, Federico Ribeiro, Ronny Rocha Hughes, David L. Nunes, Giovana Gioppo Reis, Dayane Mey |
author_facet | Santana, Francielli Sousa Briganti, Matteo Cassaro, Rafael A. Allão Totti, Federico Ribeiro, Ronny Rocha Hughes, David L. Nunes, Giovana Gioppo Reis, Dayane Mey |
author_sort | Santana, Francielli Sousa |
collection | PubMed |
description | A dinuclear copper(II) complex of formula [{Cu(bipy)(bzt)(OH(2))}(2)(μ-ox)] (1) (where bipy = 2,2′-bipyridine, bzt = benzoate and ox = oxalate) was synthesised and characterised by diffractometric (powder and single-crystal XRD) and thermogravimetric (TG/DTG) analyses, spectroscopic techniques (IR, Raman, electron paramagnetic resonance spectroscopy (EPR) and electronic spectroscopy), magnetic measurements and density functional theory (DFT) calculations. The analysis of the crystal structure revealed that the oxalate ligand is in bis(bidentate) coordination mode between two copper(II) centres. The other four positions of the coordination environment of the copper(II) ion are occupied by one water molecule, a bidentate bipy and a monodentate bzt ligand. An inversion centre located on the ox ligand generates the other half of the dinuclear complex. Intermolecular hydrogen bonds and π-π interactions are responsible for the organisation of the molecules in the solid state. Molar magnetic susceptibility and field dependence magnetisation studies evidenced a weak intramolecular–ferromagnetic interaction (J = +2.9 cm(−1)) between the metal ions. The sign and magnitude of the calculated J value by density functional theory (DFT) are in agreement with the experimental data. |
format | Online Article Text |
id | pubmed-7221668 |
institution | National Center for Biotechnology Information |
language | English |
publishDate | 2020 |
publisher | MDPI |
record_format | MEDLINE/PubMed |
spelling | pubmed-72216682020-05-21 An Oxalate-Bridged Copper(II) Complex Combining Monodentate Benzoate, 2,2′-bipyridine and Aqua Ligands: Synthesis, Crystal Structure and Investigation of Magnetic Properties Santana, Francielli Sousa Briganti, Matteo Cassaro, Rafael A. Allão Totti, Federico Ribeiro, Ronny Rocha Hughes, David L. Nunes, Giovana Gioppo Reis, Dayane Mey Molecules Article A dinuclear copper(II) complex of formula [{Cu(bipy)(bzt)(OH(2))}(2)(μ-ox)] (1) (where bipy = 2,2′-bipyridine, bzt = benzoate and ox = oxalate) was synthesised and characterised by diffractometric (powder and single-crystal XRD) and thermogravimetric (TG/DTG) analyses, spectroscopic techniques (IR, Raman, electron paramagnetic resonance spectroscopy (EPR) and electronic spectroscopy), magnetic measurements and density functional theory (DFT) calculations. The analysis of the crystal structure revealed that the oxalate ligand is in bis(bidentate) coordination mode between two copper(II) centres. The other four positions of the coordination environment of the copper(II) ion are occupied by one water molecule, a bidentate bipy and a monodentate bzt ligand. An inversion centre located on the ox ligand generates the other half of the dinuclear complex. Intermolecular hydrogen bonds and π-π interactions are responsible for the organisation of the molecules in the solid state. Molar magnetic susceptibility and field dependence magnetisation studies evidenced a weak intramolecular–ferromagnetic interaction (J = +2.9 cm(−1)) between the metal ions. The sign and magnitude of the calculated J value by density functional theory (DFT) are in agreement with the experimental data. MDPI 2020-04-20 /pmc/articles/PMC7221668/ /pubmed/32326057 http://dx.doi.org/10.3390/molecules25081898 Text en © 2020 by the authors. Licensee MDPI, Basel, Switzerland. This article is an open access article distributed under the terms and conditions of the Creative Commons Attribution (CC BY) license (http://creativecommons.org/licenses/by/4.0/). |
spellingShingle | Article Santana, Francielli Sousa Briganti, Matteo Cassaro, Rafael A. Allão Totti, Federico Ribeiro, Ronny Rocha Hughes, David L. Nunes, Giovana Gioppo Reis, Dayane Mey An Oxalate-Bridged Copper(II) Complex Combining Monodentate Benzoate, 2,2′-bipyridine and Aqua Ligands: Synthesis, Crystal Structure and Investigation of Magnetic Properties |
title | An Oxalate-Bridged Copper(II) Complex Combining Monodentate Benzoate, 2,2′-bipyridine and Aqua Ligands: Synthesis, Crystal Structure and Investigation of Magnetic Properties |
title_full | An Oxalate-Bridged Copper(II) Complex Combining Monodentate Benzoate, 2,2′-bipyridine and Aqua Ligands: Synthesis, Crystal Structure and Investigation of Magnetic Properties |
title_fullStr | An Oxalate-Bridged Copper(II) Complex Combining Monodentate Benzoate, 2,2′-bipyridine and Aqua Ligands: Synthesis, Crystal Structure and Investigation of Magnetic Properties |
title_full_unstemmed | An Oxalate-Bridged Copper(II) Complex Combining Monodentate Benzoate, 2,2′-bipyridine and Aqua Ligands: Synthesis, Crystal Structure and Investigation of Magnetic Properties |
title_short | An Oxalate-Bridged Copper(II) Complex Combining Monodentate Benzoate, 2,2′-bipyridine and Aqua Ligands: Synthesis, Crystal Structure and Investigation of Magnetic Properties |
title_sort | oxalate-bridged copper(ii) complex combining monodentate benzoate, 2,2′-bipyridine and aqua ligands: synthesis, crystal structure and investigation of magnetic properties |
topic | Article |
url | https://www.ncbi.nlm.nih.gov/pmc/articles/PMC7221668/ https://www.ncbi.nlm.nih.gov/pubmed/32326057 http://dx.doi.org/10.3390/molecules25081898 |
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