New copper carboxyl-ate pyrene dimers: synthesis, crystal structure, Hirshfeld surface analysis and electrochemical characterization

Two new copper dimers, namely, bis-(dimethyl sulfoxide)-tetra-kis-(μ-pyrene-1-carboxyl-ato)dicopper( - ), [Cu (C H O ) (C H OS) ] or [Cu (pyr-COO ) (DMSO) ] ( ), and bis-(di-methyl-formamide)-tetra-kis-(μ-pyrene-1-carboxyl-ato)dicopper( - ), [Cu (C H O ) (C H NO) ] or [Cu (pyr-COO ) (DMF) ] ( ) (pyr...

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Published in:Acta crystallographica. Section E, Crystallographic communications Crystallographic communications, 2024-01, Vol.80 (Pt 1), p.1-9
Main Authors: Nogué-Guzmán, Vianca C, Burgos-Suazo, Alejandro, Rivera-Reyes, Javier O, Montes Quiñones, Vasti P, Ramis-Aybar, Paola C, Burgos-Jiménez, Adriana C, González-Nieves, Karilys, Piñero-Cruz, Dalice M
Format: Article
Language:English
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Research Communications
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Summary:Two new copper dimers, namely, bis-(dimethyl sulfoxide)-tetra-kis-(μ-pyrene-1-carboxyl-ato)dicopper( - ), [Cu (C H O ) (C H OS) ] or [Cu (pyr-COO ) (DMSO) ] ( ), and bis-(di-methyl-formamide)-tetra-kis-(μ-pyrene-1-carboxyl-ato)dicopper( - ), [Cu (C H O ) (C H NO) ] or [Cu (pyr-COO ) (DMF) ] ( ) (pyr = pyrene), were synthesized from the reaction of pyrene-1-carb-oxy-lic acid, copper(II) nitrate and tri-ethyl-amine from solvents DMSO and DMF, respectively. While crystallized in the space group , the crystal structure of is in space group 2 / . The Cu atoms have octa-hedral geometries, with four oxygen atoms from carboxyl-ate pyrene ligands occupying the equatorial positions, a solvent mol-ecule coordinating at one of the axial positions, and a Cu⋯Cu contact in the opposite position. The packing in the crystal structures exhibits π-π stacking inter-actions and short contacts through the solvent mol-ecules. The Hirshfeld surfaces and two-dimensional fingerprint plots were generated for both compounds to better understand the inter-molecular inter-actions and the contribution of heteroatoms from the solvent ligands to the crystal packing. In addition, a Cu /Cu quasi-reversible redox process was identified for compound using cyclic voltammetry that accounts for a diffusion-controlled electron-donation process to the Cu dimer.
ISSN:2056-9890
2056-9890
DOI:10.1107/S2056989023010277