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Coordination structure and intermolecular interactions in copper(II) acetate complexes with 1,10-phenanthroline and
Samuel P Guimaraes1, Leonardo H R Dos Santos1, Bernardo L Rodrigues1
1Department of Chemistry, Federal University of Minas Gerais, Avenida Antonio Carlos, 6627 Pampulha, Belo Horizonte - MG, CEP 31270-901, Brazil.
This study reports the crystal structures of three copper(II) coordination compounds, revealing pentacoordinated but distorted metal centers. Analysis of geometric parameters and Hirshfeld surfaces provides insights into metal-ligand interactions in these P-1 space group complexes.
Area of Science:
- Inorganic Chemistry
- Crystallography
- Coordination Chemistry
Background:
- Coordination compounds containing copper(II) ions with nitrogen-based ligands like 2,2'-bipyridine (bipy) and 1,10-phenanthroline (phen) are of significant interest.
- Understanding the structural nuances and metal-ligand interactions is crucial for designing new materials with specific properties.
Purpose of the Study:
- To report and compare the crystal structures of two novel copper(II) coordination compounds.
- To analyze the coordination geometry, geometric distortion, and metal-ligand interactions in these complexes.
- To compare the findings with a previously published related structure.
Main Methods:
- Single-crystal X-ray diffraction was used to determine the crystal structures.
- Analysis of geometric parameters (bond lengths, angles) around the copper(II) center.
- Hirshfeld surface analysis (dnorm and curvedness) to probe intermolecular interactions.
Main Results:
- The crystal structures of [Cu(bipy)(phen)Ac]Ac·6H₂O and [Cu(bipy)₂Ac]Ac·HAc·3H₂O were determined.
- All three studied complexes ([Cu(bipy)(phen)Ac]Ac·6H₂O, [Cu(bipy)₂Ac]Ac·HAc·3H₂O, and [Cu(phen)₂Ac]Ac·7H₂O) exhibit pentacoordinated copper(II) centers with significant geometric distortion.
- All complexes crystallize in the P-1 space group.
- Hirshfeld surface analysis provided insights into metal-ligand interactions and allowed for comparisons.
Conclusions:
- The coordination geometry around the copper(II) center is consistently pentacoordinated but highly distorted across the studied complexes.
- Geometric distortion and coordination number are key factors influencing the properties of these copper(II) complexes.
- The study highlights the utility of Hirshfeld surface analysis in understanding metal-ligand interactions in coordination compounds.
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