Monocarboxylate-protected two-electron superatomic silver nanoclusters with high photothermal conversion performance

Area of Science:

• Inorganic Chemistry
• Materials Science
• Nanotechnology

Background:

• Superatomic nanoclusters offer unique electronic and optical properties.
• Stabilization of silver nanoclusters often requires specific ligands.
• Monocarboxylates have not been previously explored for stabilizing silver nanoclusters.

Purpose of the Study:

• To synthesize and characterize novel monocarboxylate-protected silver nanoclusters.
• To investigate the structure, stability, and electronic properties of these clusters.
• To evaluate their potential for photothermal applications.

Main Methods:

• Solvent-thermal synthesis under alkaline conditions.
• Full characterization using X-ray diffraction, FT-IR, XPS, and ESI-MS.
• Density functional theory (DFT) calculations for structural and electronic analysis.

Main Results:

• Successful synthesis of [Ag16(L)8(9-AnCO2)12]2+ silver nanoclusters with a [Ag8@Ag8]6+ core.
• The 2-electron superatomic core exhibits a flattened, puckered hexagonal bipyramid structure (S6 symmetry).
• Demonstrated high photothermal conversion efficiency under sunlight, linked to superatomic orbitals and anthracenyl groups.

Conclusions:

• Monocarboxylates are effective stabilizing agents for silver nanoclusters.
• The synthesized clusters possess unprecedented structures and tunable electronic properties.
• These findings pave the way for surface functionalization and advanced applications, particularly in photothermal therapy.