Cesium's Off‐the‐Map Valence Orbital

作者:Dr Maarten G Goesten; Dr Martin Rahm; Prof Dr F Matthias Bickelhaupt; Prof Dr Emiel J M Hensen
来源:Angewandte Chemie, 2017, 129(33): 9904-9908.
DOI:10.1002/ange.201704118

摘要

Abstract(#br)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 oxygen atoms. The valence Cs 6s orbital lies too high to be involved in bonding, and contributes to Ryd...

  • 出版日期2017