Cesium's off-the-map valence orbital
Artikel i vetenskaplig tidskrift, 2017

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.

oxidation

Core electron reactivity

Bond Theory

Inorganic chemistry

Valence

Författare

Maarten Goesten

Martin Rahm

Chalmers, Kemi och kemiteknik, Kemi och biokemi, Fysikalisk kemi

Matthias Bickelhaupt

Emiel Hensen

Angewandte Chemie

0044-8249 (ISSN) 1521-3757 (eISSN)

Ämneskategorier

Teoretisk kemi

DOI

10.1002/ange.201704118

Mer information

Skapat

2017-10-07