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RESEARCH PRODUCT
The Al 50 Cp* 12 Cluster – A 138‐Electron Closed Shell ( L = 6) Superatom
Hannu HäkkinenOlga Lopez-acevedoPeneé A. ClayborneRobert L. WhettenRobert L. WhettenHenrik Grönbecksubject
Inorganic ChemistryAngular momentumAb initio quantum chemistry methodsChemical physicsComputational chemistryChemistrySuperatomAtomShell (structure)Cluster (physics)Condensed Matter::Strongly Correlated ElectronsElectronic structureOpen shelldescription
Metal clusters stabilized by a surface ligand shell represent an interesting intermediate state of matter between molecular metal-ligand complexes and bulk metal. Such "metalloid" clusters are characterized by the balance between metal-metal bonds in the core and metal-ligand bonds at the exterior of the cluster. In previous studies, the electronic stability for the Al50Cp*(12) cluster was not fully understood. We show here that the known cluster Al50Cp*(12) can be considered as an analogue to a giant atom ("superatom") with 138 sp electrons organized in concentric angular momentum shells up to L = 6 symmetry.
| year | journal | country | edition | language |
|---|---|---|---|---|
| 2011-05-13 | European Journal of Inorganic Chemistry |