NIMBE, CEA, CNRS, Université Paris-Saclay, CEA Saclay, 91191, Gif-sur-Yvette, France.
Department of Chemistry, University of Helsinki, P.O. Box 55, 00014, Helsinki, Finland.
Angew Chem Int Ed Engl. 2017 Aug 14;56(34):10132-10134. doi: 10.1002/anie.201701609. Epub 2017 Apr 26.
A Periodic System was proposed for the elements 1-172 by Pyykkö on the basis of atomic and ionic calculations. In it, the elements 121-138 were nominally assigned to a 5g row. We now perform molecular, relativistic four-component DFT calculations and find that the hexafluorides of the elements 125-129 indeed enjoy occupied 5g states.
皮约克基于原子和离子计算为 1-172 号元素提出了一个周期性系统。在这个系统中，121-138 号元素名义上被分配到一个 5g 行。我们现在进行分子、相对论四分量 DFT 计算，发现 125-129 号元素的六氟化物确实具有占据的 5g 态。
