Structure of a DNA-Stabilised Ag16Cl2 Nanocluster in Solution

We determine for the first time the structure of a DNA-stabilised Ag16Cl2 nanocluster in solution 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 towards 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-stabilised clusters beyond their crystallised form, an essential step towards understanding differences between their solution-phase and solid-state photophysical properties.