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Coordination of noble gases by alkali-metal-like superatom cation Be3 B.

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Quantum chemical calculations were carried out to investigate the noble gas binding ability of Be3 B+ cluster. Calculations reveal that heavier noble gas atoms (ArXe) form stable complexes with this… Click to show full abstract

Quantum chemical calculations were carried out to investigate the noble gas binding ability of Be3 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 Be3 B+ cluster.

Keywords: gas atoms; gas; noble gas; noble gases; coordination noble; gases alkali

Journal Title: Journal of computational chemistry
Year Published: 2023

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