Chemistry of the 5g Elements: Relativistic Calculations on Hexafluorides

Jean-Pierre Dognon; Pekka Pyykkö

doi:10.1002/anie.201701609

Chemistry of the 5g Elements: Relativistic Calculations on Hexafluorides

Angew Chem Int Ed Engl. 2017 Aug 14;56(34):10132-10134. doi: 10.1002/anie.201701609. Epub 2017 Apr 26.

Authors

Jean-Pierre Dognon¹, Pekka Pyykkö²

Affiliations

¹ NIMBE, CEA, CNRS, Université Paris-Saclay, CEA Saclay, 91191, Gif-sur-Yvette, France.
² Department of Chemistry, University of Helsinki, P.O. Box 55, 00014, Helsinki, Finland.

PMID: 28444891
DOI: 10.1002/anie.201701609

Abstract

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.

Keywords: 5g elements; periodic system; periodic table; relativistic 4-component calculations.

Publication types

Research Support, Non-U.S. Gov't