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K(CO)8− and Rb(CO)8−: Cube-Like Alkali Octacarbonyls Satisfying the 18-Electron Rule

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Published in 2019 at "Journal of Cluster Science"

DOI: 10.1007/s10876-019-01521-y

Abstract: Inspired by recent discoveries of alkaline-earth octacarbonyls and based on extensive first-principles theory investigations, we predict herein the possibility of perfect cube-like alkali octacarbonyls M(CO)8− (Oh, 3A1g) (1) (M = K, Rb) which satisfy the 18-electron rule… read more here.

Keywords: like alkali; alkali octacarbonyls; electron rule; cube like ... See more keywords