A suggested periodic table up to Z <= 172, based on Dirac-Fock calculations on atoms and ions

作者：Pyykko Pekka^*

来源：Physical Chemistry Chemical Physics, 2011, 13(1): 161-168.

DOI：10.1039/c0cp01575j

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 <= 8p(1/2) < 6f < 7d < 9s < 9p(1/2) < 8p(3/2). 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 MXi compounds, such as i = 6 for UF6. Particularly high i are predicted for the 6f elements.

• 出版日期2011