Unique [core+two] structure and optical property of a dodeca-ligated undecagold cluster: critical contribution of the exo gold atoms to the electronic structure

A novel dodeca-ligated undecagold cluster having a nonagold core plus two exo-attached gold atoms was synthesized. Unlike the conventional icosahedron-based "core-only" isomer, the [9+2] cluster showed an intense visible absorption band. Theoretical calculation showed the involvement of the exo gold atoms in the generation of the unique electronic structure.