STEM Electron Diffraction and High Resolution Images Used in the Determination of the Crystal Structure of Au144(SR)60 Cluster.

ABSTRACT: Determination of the total structure of molecular nanocrystals is an outstanding experimental challenge that has been met, in only a few cases, by single-crystal X-ray diffraction. Described here is an alternative approach that is of most general applicability and does not require the fabrication of a single crystal. The method is based on rapid, time-resolved nanobeam electron diffraction (NBD) combined with high-angle annular dark field scanning/transmission electron microscopy (HAADF-STEM) images in a probe corrected STEM microscope, operated at reduced voltages. The results are compared with theoretical simulations of images and diffraction patterns obtained from atomistic structural models derived through first-principles density functional theory (DFT) calculations. The method is demonstrated by application to determination of the structure of the Au144(SCH2CH2Ph)60 cluster.

SUBMITTER: Bahena D 

PROVIDER: S-EPMC3655783 | biostudies-literature | 2013 Mar

REPOSITORIES: biostudies-literature