Abstract
We determine the first solution-state structure of a DNA-stabilized Ag(16)Cl(2) nanocluster using X‑ray total scattering and pair distribution function analysis. We find that the structure in solution exhibits both displacive and rotational distortions compared to the known crystal structure. Additionally, our measurements are sensitive toward changes in DNA conformation, revealing that the DNA scaffold in solution exhibits significantly more flexibility than when conformationally locked in the crystalline form. Our results demonstrate the capability to determine the structure of DNA-stabilized clusters beyond their crystallized form, an essential step toward understanding differences between their solution-phase and solid-state photophysical properties.