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Issue 26, 2012
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The electronic structure of Ge9[Si(SiMe3)3]3: a superantiatom complex

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Abstract

We report on the electronic structure of Ge9[Si(SiMe3)3]3. Systematic density functional theory analysis of the electronic shell structure of the cluster and its derivatives reveals that the Ge9[Si(SiMe3)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 Al13 and superatom complexes to Ge9[Si(SiMe3)3]3 are presented.

Graphical abstract: The electronic structure of Ge9[Si(SiMe3)3]3−: a superantiatom complex

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Publication details

The article was received on 13 Oct 2011, accepted on 26 Jan 2012 and first published on 27 Jan 2012


Article type: Paper
DOI: 10.1039/C2CP23229D
Citation: Phys. Chem. Chem. Phys., 2012,14, 9311-9316
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    The electronic structure of Ge9[Si(SiMe3)3]3: a superantiatom complex

    P. Andre Clayborne and H. Häkkinen, Phys. Chem. Chem. Phys., 2012, 14, 9311
    DOI: 10.1039/C2CP23229D

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