The electronic structure of Ge9[Si(SiMe3)3]3-: a superantiatom complex.
We report on the electronic structure of Ge(9)[Si(SiMe(3))(3)](3)(-). Systematic density functional theory analysis of the electronic shell structure of the cluster and its derivatives reveals that the Ge(9)[Si(SiMe(3))(3)](3)(-) and its neutral counterpart have electronic shells that can be explained using the superatom model. The ligand-core interaction of these complexes is distinctly different from previously identified gold, gallium, and aluminium superatom complexes, indicating an electron-donating rather than electron-withdrawing ligand. We modify the electron-counting rule for this case and introduce a simple picture for superatom and superantiatom complexes. Discussions comparing shell models, Zintl clusters, the superhalogen Al(13) and superatom complexes to Ge(9)[Si(SiMe(3))(3)](3)(-) are presented.
Department of Chemistry, Nanoscience Center, FI-40014 University of Jyväskylä, P.O. Box 35, Jyväskylä, Finland. penee.a.clayborne@jyu.fi
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Andre Clayborne
Hannu
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Häkkinen