80 kV aberration-corrected transmission electron microscopy (AC-TEM) of discrete [W6O19]2- polyoxometalate ions mounted within double walled carbon nanotubes (DWNTs) allow high precision structural studies to be performed. W atom column separations within the octahedral W 6 tungsten template can be visualized with sufficient clarity that correlation with full-scale density functional theory (DFT) can be achieved. Calculations performed on the gas phase and DWNT-mounted [W6O 19]2- anions show good agreement, in the latter case, with measured separations between pairs of W2 atom columns imaged within equatorial WO6 octahedra and single W atoms within axial WO 6 octahedra. Structural data from the tilted chiral encapsulating DWNT was also determined simultaneously with the anion structural measurements, allowing the nanotube conformation to be addressed in the DFT calculations.
|Journal||Journal of Physics: Conference Series|
|Publication status||Published - 1 Jan 2012|
|Event||Electron Microscopy and Analysis Group Conference 2011, EMAG 2011 - Birmingham, United Kingdom|
Duration: 6 Sep 2011 → 9 Sep 2011
ASJC Scopus subject areas
- Physics and Astronomy(all)