Solution structural characterization of an array of nanoscale aqueous inorganic (0 ≤ ≤ 6) clusters by H-NMR and QM computations.

NMR spectroscopy is the go-to technique for determining the solution structures of organic, organometallic, and even macromolecular species. However, structure determination of nanoscale aqueous inorganic clusters by NMR spectroscopy remains an unexplored territory. The few hydroxo-bridged inorganic species well characterized by H Nuclear Magnetic Resonance spectroscopy (H-NMR) do not provide enough information for signal assignment and prediction of new samples.