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Magic Numbers for the Photoelectron Anisotropy in Li-Doped Dimethyl Ether Clusters.

ABSTRACT: Photoelectron velocity map imaging of Li(CH₃OCH₃) _n 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(CH₃OCH₃) _n and Na(CH₃OCH₃) _n 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.

SUBMITTER: Barnes JV

PROVIDER: S-EPMC6441944 | biostudies-literature | 2019 Mar

REPOSITORIES: biostudies-literature

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Magic Numbers for the Photoelectron Anisotropy in Li-Doped Dimethyl Ether Clusters.

Barnes Jonathan V JV Yoder Bruce L BL Signorell Ruth R

The journal of physical chemistry. A 20190311 12

Photoelectron velocity map imaging of Li(CH3OCH3) n 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 ...[more]

PMID: 30811202

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