H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ<sub>4</sub>-EDTA)Bis(Imidazole) Dicopper(II) Dihydrate
We synthesized and studied the polymeric compound {[Cu<sub>2</sub>(µ<sub>4</sub>-EDTA)(Him)<sub>2</sub>] 2H<sub>2</sub>O}<sub>n</sub> (<b>1</b>). The single-crystal structure is reported along with an in depth characterization o...
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doaj-82210840e8db478c84df5b391c396bf82021-01-09T00:02:48ZengMDPI AGCrystals2073-43522021-01-0111484810.3390/cryst11010048H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ<sub>4</sub>-EDTA)Bis(Imidazole) Dicopper(II) DihydrateJeannette Carolina Belmont-Sánchez0María Eugenia García-Rubiño1Antonio Frontera2Josefa María González-Pérez3Alfonso Castiñeiras4Juan Niclós-Gutiérrez5Department of Inorganic Chemistry, Faculty of Pharmacy, University of Granada, 18071 Granada, SpainDepartamento Fisicoquímica, Facultad de Farmacia, Universidad de Granada, 18071 Granada, SpainDepartament de Química, Universitat de les Illes Balears, Crta. de Valldemossa km 7.5, 07122 Palma de Mallorca (Baleares), SpainDepartment of Inorganic Chemistry, Faculty of Pharmacy, University of Granada, 18071 Granada, SpainDepartment of Inorganic Chemistry, Faculty of Pharmacy, University of Santiago de Compostela, 15782 Santiago de Compostela, SpainDepartment of Inorganic Chemistry, Faculty of Pharmacy, University of Granada, 18071 Granada, SpainWe synthesized and studied the polymeric compound {[Cu<sub>2</sub>(µ<sub>4</sub>-EDTA)(Him)<sub>2</sub>] 2H<sub>2</sub>O}<sub>n</sub> (<b>1</b>). The single-crystal structure is reported along with an in depth characterization of its thermal stability (TGA), spectral properties (FT-IR, Vis-UV and RSE), and magnetic behavior. The crystal consists of infinite 2D-networks built by centrosymmetric dinuclear motifs, constructed by means of a bridging <i>anti,syn</i>-carboxylate group from each asymmetric unit. Each layer guides Him ligands toward their external faces. They are connected by intermolecular (Him)N-H···O(carboxylate) bonds and antiparallel π–π stacking between symmetry related pairs of Him ligands, and then pillared in a 3D-network with parallel channels, where disordered water molecules are guested. About half of the labile water is lost from these channels over a wide temperature range (r.t. to 210 °C) before the other one, most strongly retained by the cooperating action of (water)O1-H(1A)···O(carboxylate) and (water) O1-H(1B)···π(Him) interactions. The latter is lost when organic ligands start to burn. ESR spectra and magnetic measurements indicated that symmetry related Cu(II) centers connected by the bridging carboxylate groups behave magnetically not equivalently, enabling an exchange interaction larger than their individual Zeeman energies.https://www.mdpi.com/2073-4352/11/1/48crystal structurecopper(II)EDTAimidazolepolymerH-bonding |
collection |
DOAJ |
language |
English |
format |
Article |
sources |
DOAJ |
author |
Jeannette Carolina Belmont-Sánchez María Eugenia García-Rubiño Antonio Frontera Josefa María González-Pérez Alfonso Castiñeiras Juan Niclós-Gutiérrez |
spellingShingle |
Jeannette Carolina Belmont-Sánchez María Eugenia García-Rubiño Antonio Frontera Josefa María González-Pérez Alfonso Castiñeiras Juan Niclós-Gutiérrez H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ<sub>4</sub>-EDTA)Bis(Imidazole) Dicopper(II) Dihydrate Crystals crystal structure copper(II) EDTA imidazole polymer H-bonding |
author_facet |
Jeannette Carolina Belmont-Sánchez María Eugenia García-Rubiño Antonio Frontera Josefa María González-Pérez Alfonso Castiñeiras Juan Niclós-Gutiérrez |
author_sort |
Jeannette Carolina Belmont-Sánchez |
title |
H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ<sub>4</sub>-EDTA)Bis(Imidazole) Dicopper(II) Dihydrate |
title_short |
H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ<sub>4</sub>-EDTA)Bis(Imidazole) Dicopper(II) Dihydrate |
title_full |
H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ<sub>4</sub>-EDTA)Bis(Imidazole) Dicopper(II) Dihydrate |
title_fullStr |
H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ<sub>4</sub>-EDTA)Bis(Imidazole) Dicopper(II) Dihydrate |
title_full_unstemmed |
H-Bonds, π-Stacking and (Water)O-H/π Interactions in (µ<sub>4</sub>-EDTA)Bis(Imidazole) Dicopper(II) Dihydrate |
title_sort |
h-bonds, π-stacking and (water)o-h/π interactions in (µ<sub>4</sub>-edta)bis(imidazole) dicopper(ii) dihydrate |
publisher |
MDPI AG |
series |
Crystals |
issn |
2073-4352 |
publishDate |
2021-01-01 |
description |
We synthesized and studied the polymeric compound {[Cu<sub>2</sub>(µ<sub>4</sub>-EDTA)(Him)<sub>2</sub>] 2H<sub>2</sub>O}<sub>n</sub> (<b>1</b>). The single-crystal structure is reported along with an in depth characterization of its thermal stability (TGA), spectral properties (FT-IR, Vis-UV and RSE), and magnetic behavior. The crystal consists of infinite 2D-networks built by centrosymmetric dinuclear motifs, constructed by means of a bridging <i>anti,syn</i>-carboxylate group from each asymmetric unit. Each layer guides Him ligands toward their external faces. They are connected by intermolecular (Him)N-H···O(carboxylate) bonds and antiparallel π–π stacking between symmetry related pairs of Him ligands, and then pillared in a 3D-network with parallel channels, where disordered water molecules are guested. About half of the labile water is lost from these channels over a wide temperature range (r.t. to 210 °C) before the other one, most strongly retained by the cooperating action of (water)O1-H(1A)···O(carboxylate) and (water) O1-H(1B)···π(Him) interactions. The latter is lost when organic ligands start to burn. ESR spectra and magnetic measurements indicated that symmetry related Cu(II) centers connected by the bridging carboxylate groups behave magnetically not equivalently, enabling an exchange interaction larger than their individual Zeeman energies. |
topic |
crystal structure copper(II) EDTA imidazole polymer H-bonding |
url |
https://www.mdpi.com/2073-4352/11/1/48 |
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