A suggested periodic table up to Z ≤ 172, based on Dirac–Fock calculations on atoms and ions

Pekka Pyykkö

doi:10.1039/C0CP01575J

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Physical Chemistry Chemical Physics

Issue 1, 2011

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A suggested periodic table up to Z ≤ 172, based on Dirac–Fock calculations on atoms and ions

Pekka Pyykkö

Phys. Chem. Chem. Phys., 2011,13, 161-168

DOI: 10.1039/C0CP01575J
Received 23 Aug 2010, Accepted 15 Sep 2010
First published on the web 22 Oct 2010

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Abstract
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Extended Average Level (EAL) Dirac–Fock calculations on atoms and ions agree with earlier work in that a rough shell-filling order for the elements 119–172 is 8s < 5g ≤ 8p₁_/2 < 6f < 7d < 9s < 9p₁_/2 < 8p₃_/2. The present Periodic Table develops further that of Fricke, Greiner and Waber [Theor. Chim. Acta 1971, 21, 235] by formally assigning the elements 121–164 to (nlj) slots on the basis of the electron configurations of their ions. Simple estimates are made for likely maximum oxidation states, i, of these elements M in their MX_i compounds, such as i = 6 for UF₆. Particularly high i are predicted for the 6f elements.

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