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Structurally Resolved Water-Soluble Copper Nanoclusters with NIR TADF Exhibiting Multifunctional Catalytic Activity
Sameeksha Agrawal1, Thrisha Swaminathan1, Sanyam2
1Department of Chemistry, Indian Institute of Science Education and Research Bhopal, Bhopal Bypass Road, Bhauri, Bhopal 462 066, Madhya Pradesh, India.
The Journal of Physical Chemistry Letters
|June 16, 2026
Summary
Researchers developed water-soluble copper nanoclusters (CuNCs) exhibiting near-infrared thermally activated delayed fluorescence (NIR-TADF). These multifunctional CuNCs show intense red emission and catalytic activity in aqueous solutions.
Area of Science:
- Materials Science
- Photophysics
- Nanotechnology
Background:
- Thermally activated delayed fluorescence (TADF) in metal nanoclusters (MNCs) offers a pathway to utilize triplet state emissions.
- The widespread application of TADF-active MNCs is hindered by hydrophobic ligands, leading to poor water solubility.
- Developing water-soluble TADF materials is crucial for diverse applications, especially in aqueous environments.
Purpose of the Study:
- To synthesize and characterize novel water-soluble copper nanoclusters (CuNCs) with near-infrared (NIR) emitting properties.
- To investigate and confirm the thermally activated delayed fluorescence (TADF) mechanism in these CuNCs.
- To explore the multifunctional capabilities of these water-soluble CuNCs, including their catalytic activity.
Main Methods:
- Synthesis of water-soluble copper nanoclusters (CuNCs).
- Structural characterization using single-crystal X-ray diffraction (SC-XRD).
- Photophysical studies including temperature-dependent photoluminescence to validate TADF and estimate the singlet-triplet energy gap (ΔEST).
- Density Functional Theory (DFT) calculations to elucidate the TADF mechanism and charge-transfer dynamics.
- Catalytic activity assessment for reduction reactions (ferricyanide, Methylene Blue).
Main Results:
- Successfully synthesized highly water-soluble CuNCs exhibiting intense red emission in the solid state.
- Confirmed the TADF mechanism with an experimentally determined ΔEST of ~98 meV.
- DFT calculations supported the TADF mechanism and revealed charge-transfer characteristics.
- Demonstrated excellent catalytic activity for reduction of ferricyanide and Methylene Blue in aqueous phase.
Conclusions:
- The developed water-soluble CuNCs are promising for NIR-TADF applications, overcoming solubility limitations of traditional MNCs.
- The combination of TADF emission and catalytic activity in an aqueous-compatible format highlights the multifunctional potential of these nanoclusters.
- These findings pave the way for novel applications in areas requiring water-dispersible luminescent and catalytic nanomaterials.
