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Quasi-planar Co atom-doped boron cluster: CoB. | LitMetric
Purpose And Methods : A global search for the lowest energy structure of CoB clusters was conducted. RESULTS: Its ground state is a quasi-planar structure with the Co atom surrounded by a B ring. The central Co atom has an oxidation state of +1 with d electron configuration. The wave function analysis showed that the Co-B interaction is not a covalent bond. The bonding strength of peripheral B-B bonds is stronger than that of inner ones. The inner B ring bonds with outer boron atoms via σ- and π-type bonds.Conclusion : CoB shows remarkable aromatic character.
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