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RESEARCH PRODUCT
The electronic structure of Ge9[Si(SiMe3)3]3-: a superantiatom complex.
P. Andre ClayborneHannu Häkkinensubject
ta114LigandSuperatomShell (structure)General Physics and Astronomychemistry.chemical_elementElectronic structurechemistryChemical physicsAluminiumCluster (physics)Density functional theoryPhysical and Theoretical ChemistryGalliumAtomic physicsdescription
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.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2012-02-11 | Physical chemistry chemical physics : PCCP |