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Updated: Jun 14, 2025
14:44
Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Published on: December 16, 2013
9.6K
Experimental and theoretical structural investigation of an ionic Nd coordination polymer
Victoria F M Calisto1, Heitor A De Abreu2, Renata Diniz1
1Grupo de Cristalografia Química (GCQ), Departamento de Química, Universidade Federal de Minas Gerais, Av. Antônio Carlos, 6627, Belo Horizonte, Minas Gerais, Brazil.
Acta Crystallographica. Section C, Structural Chemistry
|September 4, 2024
Summary
A novel ionic neodymium coordination polymer was synthesized using isoniazid and 4-sulfobenzoate ligands. This stable, porous material exhibits a unique 3D/1D structure stabilized by hydrogen and van der Waals interactions.
Area of Science:
- Coordination Chemistry
- Materials Science
- Crystallography
Background:
- Coordination polymers are extensively researched for their structural variability and stability.
- Ionic coordination polymers offer unique structural and electronic properties.
- Neodymium-based materials are of interest for various applications.
Purpose of the Study:
- To synthesize and characterize a novel ionic neodymium coordination polymer.
- To investigate the structural features and stabilization mechanisms of the synthesized compound.
- To explore the potential of using isoniazid as a ligand in coordination polymer synthesis.
Main Methods:
- Solvothermal synthesis of the neodymium coordination polymer.
- Single-crystal X-ray diffraction for structural determination.
- Solid-state calculations to analyze crystal structure stabilization.
Main Results:
- Successfully synthesized an ionic neodymium coordination polymer with a complex 3D/1D interpenetrating network.
- The structure comprises anionic 1D polymers interconnected with cationic 3D porous polymers.
- Crystal structure is stabilized by hydrogen bonds (O-H...O, N-H...O) and van der Waals forces.
Conclusions:
- The study reports a new ionic neodymium coordination polymer utilizing isoniazid and 4-sulfobenzoate.
- The material exhibits a stable, porous structure with a dmd topological net.
- Hydrogen bonding plays a crucial role in stabilizing the overall crystal architecture.
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