388 research outputs found
Magic Numbers for the Photoelectron Anisotropy in Li-Doped Dimethyl Ether Clusters
Photoelectron velocity map imaging of Li(CHOCH) clusters (1
n 175) is used to search for magic numbers related to the
photoelectron anisotropy. Comparison with density functional calculations
reveals magic numbers at n=4, 5, and 6, resulting from the symmetric charge
distribution with high s-character of the highest occupied molecular orbital.
Since each of these three cluster sizes correspond to the completion of a first
coordination shell, they can be considered as 'isomeric motifs of the first
coordination shell'. Differences in the photoelectron anisotropy, the vertical
ionization energies and the enthalpies of vaporization between
Li(CHOCH) and Na(CHOCH) can be rationalized in terms of
differences in their solvation shells, atomic ionization energies,
polarizabilities, metal-oxygen bonds, ligand-ligand interactions, and by
cooperative effects
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