Structurally precise dichalcogenide fabricated coinage metal nanoclusters, hydrides and their applications

Atomically and structurally precise metal nanoclusters (MNCs) act as a connecting bridge between single atoms (SAs) and their massive nanoparticles (NPs, >2nm). MNCs potential uses include hydride-based hydrogen storage, catalysis, optoelectronics, florescence, and electrochemical investigations etc. The dichalcogenolate salts are effective precursors to acquire new transition-metal complexes in non-aqueous solvents owing to the strong interaction between chalcogens and metals. Here, we have reported the metal clusters, nanoclusters, which are synthesized by reaction of Ag(I)/Cu(I) salt react with dichalcogen ligands in presence of reducing agent such as NaBH₄/LiBH₄ in a stoichiometric ratio results the formation of required complex. The work focused on synthesized clusters such as Ag₄L₄ [4] (L= Fc-DTOP, Fc = ferrocenyl group), nanoclusters like (Ag₂₁ (DTP- anisole(OR))₁₂)⁺ hydrides such as (Cu₇(DTP-anisole(OR))₆), and (Cu₈ (DTP- anisole(OR))₆)⁺ (where OR = alcoholic group). These are characterized with various spectroscopic techniques such as NMR (³¹P, ¹H), ESI-MS, UV-Vis spectroscopy, XPS, and structurally characterized with single crystal X-ray Diffraction (SC-XRD). The connected link in cluster nuclearity and ligand effect explained electrochemically in water splitting in HER. Moreover, the HER center of the molecule was confirmed by DFT studies to be involved in the water splitting process. (author)