Structural Changes during the Growth of Atomically Precise Metal Oxido Nanoclusters from Combined Pair Distribution Function and Small?Angle X?ray Scattering Analysis

The combination of in situ pair distribution function (PDF) analysis and small-angle X-ray scattering (SAXS) enables the formation mechanism metal oxido nanoclusters cluster–solvent interactions as they take place. Herein, we demonstrate method for clusters with a [Bi38O45] core. Upon dissolution crystalline [Bi6O5(OH)3(NO3)5]?3 H2O DMSO, an intermediate rapidly forms, which slowly grows to stable clusters. To identify intermediate, developed automated modeling method, where smaller [BixOy] structures based on framework are tested against data. [Bi22O26] was identified main species, illustrating how combined PDF SAXS is powerful tool gain insight into nucleation atomic scale. also provides information interaction between solvent, shown depend nature ligands cluster surface.