Coordination of noble gases by alkali-metal-like superatom cation Be B.

Quantum chemical calculations were carried out to investigate the noble gas binding ability of Be B cluster. Calculations reveal that heavier noble gas atoms (ArXe) form stable complexes with this cluster. Detailed bonding analyses reveal that the noble gas atoms act as donor fragment in the formation of Ng → Be donor-acceptor bonds. Three noble gas atoms can consecutively form bonds with the Be atom of the Be B cluster.