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New Coordination Polymers with Unexpected Octahedral copper(II) Geometry: Synthesis, Supramolecular and Theoretical
Yair Alvarez-Ricardo1, Nicolás Puentes-Díaz2, Mario A Macías3
1Grupo de Investigación en Química Inorgánica, Catálisis y Bioinorgánica, Departamento de Química, Universidad de Los Andes, Carrera 1 No. 18A-12, 111711 Bogotá, Colombia.
ACS Omega
|June 1, 2026
Summary
This study synthesized novel copper(II) coordination polymers using pincer ligands. Computational analysis revealed progressive electronic stabilization with chain growth, highlighting C2
Area of Science:
- Coordination Chemistry
- Materials Science
- Crystallography
Background:
- Copper(II) complexes can form coordination polymers.
- Pincer ligands offer versatile coordination modes (N,N,N- and N,C,N-type).
- Understanding polymer assembly and stability is crucial for materials design.
Purpose of the Study:
- Synthesize new copper(II) coordination polymers.
- Investigate the self-assembly behavior of pincer ligands.
- Analyze the structural and electronic properties of the resulting polymers.
Main Methods:
- Synthesis of copper(II) complexes and coordination polymers.
- X-ray crystallography for structural elucidation.
- Computational studies to determine formation and stabilization energies.
Main Results:
- Two new copper(II) complexes were synthesized, forming coordination polymers.
- Crystallographic analysis revealed polymeric structures with octahedral metal centers and cis conformations.
- Ligand structure influenced polymer dimensionality and stability, with C2 exhibiting favorable electronic stabilization (-2.97 kcal/mol per unit).
Conclusions:
- The study successfully synthesized and characterized novel copper(II) coordination polymers.
- Ligand design dictates polymer architecture and stability.
- Computational data indicates progressive electronic stabilization with increasing polymer chain length.
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