Cargando…

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,...

Descripción completa

Detalles Bibliográficos
Autores principales: Santana, Francielli Sousa, Briganti, Matteo, Cassaro, Rafael A. Allão, Totti, Federico, Ribeiro, Ronny Rocha, Hughes, David L., Nunes, Giovana Gioppo, Reis, Dayane Mey
Formato: Online Artículo Texto
Lenguaje:English
Publicado: MDPI 2020
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
_version_ 1783533413953699840
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
work_keys_str_mv AT santanafranciellisousa anoxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT brigantimatteo anoxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT cassarorafaelaallao anoxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT tottifederico anoxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT ribeiroronnyrocha anoxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT hughesdavidl anoxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT nunesgiovanagioppo anoxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT reisdayanemey anoxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT santanafranciellisousa oxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT brigantimatteo oxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT cassarorafaelaallao oxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT tottifederico oxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT ribeiroronnyrocha oxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT hughesdavidl oxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT nunesgiovanagioppo oxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties
AT reisdayanemey oxalatebridgedcopperiicomplexcombiningmonodentatebenzoate22bipyridineandaqualigandssynthesiscrystalstructureandinvestigationofmagneticproperties