Abstract
Self-consistent calculations of the valence electron density and the sublattice and difference densities of alkali metal peroxides were carried out. It was established that the oxygen atoms in potassium, sodium, and rubidium peroxides are grouped into pairs, linked into chains by common valence density contours. In lithium peroxide the oxygen pairs are linked into chains through the lithium atoms.
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Zhuravlev, Y.N., Basalaev, Y.M. & Poplavnoi, A.S. Application of the Sublattice Method to Analysis of the Chemical Bond in the Peroxides of Alkali Metals. Theoretical and Experimental Chemistry 39, 81–84 (2003). https://doi.org/10.1023/A:1024017407020
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DOI: https://doi.org/10.1023/A:1024017407020