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Cesium's off-the-map valence orbital

Maarten Goesten ; Martin Rahm (Institutionen för kemi och kemiteknik, Fysikalisk kemi) ; Matthias Bickelhaupt ; Emiel Hensen
Angew. Chem. Int. Ed. (1521-3757). (2017)
[Artikel, refereegranskad vetenskaplig]

The Td-symmetric [CsO4]+ ion, featuring Cs in an oxidation state of 9, is computed to be a minimum. Cs uses outer core 5s and 5p orbitals to bind the oxygens. The valence Cs 6s orbital lies too high to be involved in bonding, and contributes to Rydberg levels only. From a Molecular Orbital perspective, the bonding scheme reminds of XeO4: an octet of electrons to bind electronegative ligands, and no low-lying acceptor orbitals on the central atom. In this sense, Cs+ resembles hypervalent Xe.

Nyckelord: Core electron reactivity, Valence, Bond Theory, Inorganic chemistry, oxidation

Denna post skapades 2017-07-10. Senast ändrad 2017-09-14.
CPL Pubid: 250599


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