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Noncoordinating Anions as Key Modulators of Supramolecular Structures, Optical and Electrical Properties in
Subhajit Saha1, Samit Pramanik1, Sudipta Pathak2
1Department of Chemistry, Jadavpur University, Kolkata 700032, India.
ACS Omega
|November 11, 2024
Summary
Two new nickel(II) complexes with a heterocyclic ligand were synthesized and characterized. Their structures and electronic properties were studied, showing potential for use in Schottky diode electronic devices.
Area of Science:
- Coordination Chemistry
- Materials Science
- Supramolecular Chemistry
Background:
- Nickel(II) complexes are vital in catalysis and materials science.
- Organic heterocyclic ligands offer tunable electronic and structural properties.
- Understanding supramolecular interactions is key to designing functional materials.
Purpose of the Study:
- To synthesize and structurally characterize two novel nickel(II) complexes using a new heterocyclic ligand.
- To investigate the role of counteranions in dictating supramolecular architectures and electronic properties.
- To explore the potential applications of these complexes in electronic devices.
Main Methods:
- Synthesis of nickel(II) complexes with 4-imidazole-2,6-di(pyrazinyl)pyridine (NL).
- Single-crystal X-ray diffraction for detailed structural analysis.
- Density Functional Theory (DFT) calculations for probing noncovalent interactions.
- Electrical characterization of complexes in Schottky diodes.
Main Results:
- Two nickel(II) complexes, [Ni(NL)2](NO3)2 and [Ni(NL)2](ClO4)2, were successfully synthesized.
- Crystal structures revealed distorted octahedral geometries and diverse supramolecular interactions (π···π, anion···π, H-bonding).
- DFT calculations provided insights into the stereoelectronic influence and stability of these interactions.
- Complex 2 (with perchlorate anions) demonstrated superior electrical properties in Schottky diodes compared to Complex 1.
Conclusions:
- The study elucidates the significant role of noncoordinating counteranions in influencing structural and electronic properties.
- The synthesized nickel(II) complexes exhibit potential for applications in Schottky diode-based electronic devices.
- A clear structure-function correlation was established through experimental and theoretical investigations.
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