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Fluorescent zinc(II) thione and selone complexes for light-emitting applications
Suman Mandal1, Bikash Lahkar1, Gopendra Muduli1
1Organometallics and Materials Chemistry Lab, Department of Chemistry, Indian Institute of Technology Hyderabad, Kandi, Sangareddy, Telangana, 502285, India. prabu@chy.iith.ac.in.
Dalton Transactions (Cambridge, England : 2003)
|December 24, 2024
Summary
New zinc complexes with anthracene ligands show tunable emission properties in the solid state. Thione complexes exhibit higher quantum yields than selone complexes, influenced by halide ions.
Area of Science:
- Coordination Chemistry
- Photophysics
- Materials Science
Background:
- Synthesis and characterization of metal complexes are crucial for developing new functional materials.
- Understanding the relationship between molecular structure and photophysical properties is key to designing luminescent compounds.
Purpose of the Study:
- To synthesize and characterize novel zinc(II) halide complexes with anthracene-containing thione and selone ligands.
- To investigate the solid-state emission properties and quantum yields of these complexes.
- To explore the influence of ligand type and halide coordination on luminescence.
Main Methods:
- Synthesis and full characterization of four Zn(II) complexes.
- Photophysical studies including emission spectra and quantum yield determination in the crystalline state.
- Density Functional Theory (DFT) and Time-Dependent DFT (TD-DFT) calculations for structural and electronic analysis.
Main Results:
- Four Zn(II) complexes (3 thione, 1 selone) were successfully synthesized and characterized, exhibiting tetrahedral geometries.
- All complexes showed crystalline state emission (blue, bluish-green, yellow), while ligands remained non-emissive.
- Quantum yields varied with halide ions (Cl- > Br- > I-) and ligand type (thione > selone), with complex 1 showing the highest yield (7.72%).
Conclusions:
- The synthesized zinc complexes display promising solid-state luminescence, tunable by halide and ligand choice.
- Intra-ligand charge transfer (ILCT) mediated by the metal center is the primary mechanism for the observed emission.
- These findings contribute to the design of novel luminescent metal-organic materials.
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