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.
Inorganic chemistry
Core electron reactivity
oxidation
Bond Theory
Valence
Författare
Maarten Goesten
Technische Universiteit Eindhoven
Cornell University
Martin Rahm
Cornell University
Matthias Bickelhaupt
Radboud Universiteit
Vrije Universiteit Amsterdam
Emiel Hensen
Technische Universiteit Eindhoven
Angewandte Chemie
14337851 (ISSN) 15213773 (eISSN)
Vol. 56 33 9772-9776Ämneskategorier (SSIF 2011)
Teoretisk kemi
DOI
10.1002/ange.201704118