Cesium's Off‐the‐Map Valence Orbital

The T(d)‐symmetric [CsO(4)](+) 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 Rydberg levels only. From a molecular orbita...

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Autores principales: Goesten, Maarten G., Rahm, Martin, Bickelhaupt, F. Matthias, Hensen, Emiel J. M.
Formato: Online Artículo Texto
Lenguaje:English
Publicado: John Wiley and Sons Inc. 2017
Materias:
Communications
Acceso en línea:https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5601296/
https://www.ncbi.nlm.nih.gov/pubmed/28643352
http://dx.doi.org/10.1002/anie.201704118
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author Goesten, Maarten G.
Rahm, Martin
Bickelhaupt, F. Matthias
Hensen, Emiel J. M.
author_facet Goesten, Maarten G.
Rahm, Martin
Bickelhaupt, F. Matthias
Hensen, Emiel J. M.
author_sort Goesten, Maarten G.
collection PubMed
description The T(d)‐symmetric [CsO(4)](+) 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 Rydberg levels only. From a molecular orbital perspective, the bonding scheme is reminiscent of XeO(4): 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.
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spelling pubmed-56012962017-10-03 Cesium's Off‐the‐Map Valence Orbital Goesten, Maarten G. Rahm, Martin Bickelhaupt, F. Matthias Hensen, Emiel J. M. Angew Chem Int Ed Engl Communications The T(d)‐symmetric [CsO(4)](+) 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 Rydberg levels only. From a molecular orbital perspective, the bonding scheme is reminiscent of XeO(4): 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. John Wiley and Sons Inc. 2017-07-18 2017-08-07 /pmc/articles/PMC5601296/ /pubmed/28643352 http://dx.doi.org/10.1002/anie.201704118 Text en © 2017 The Authors. Published by Wiley-VCH Verlag GmbH & Co. KGaA. This is an open access article under the terms of the Creative Commons Attribution‐NonCommercial (http://creativecommons.org/licenses/by-nc/4.0/) License, which permits use, distribution and reproduction in any medium, provided the original work is properly cited and is not used for commercial purposes.
spellingShingle Communications
Goesten, Maarten G.
Rahm, Martin
Bickelhaupt, F. Matthias
Hensen, Emiel J. M.
Cesium's Off‐the‐Map Valence Orbital
title Cesium's Off‐the‐Map Valence Orbital
title_full Cesium's Off‐the‐Map Valence Orbital
title_fullStr Cesium's Off‐the‐Map Valence Orbital
title_full_unstemmed Cesium's Off‐the‐Map Valence Orbital
title_short Cesium's Off‐the‐Map Valence Orbital
title_sort cesium's off‐the‐map valence orbital
topic Communications
url https://www.ncbi.nlm.nih.gov/pmc/articles/PMC5601296/
https://www.ncbi.nlm.nih.gov/pubmed/28643352
http://dx.doi.org/10.1002/anie.201704118
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