3 years ago

Chemistry of the 5g Elements: Relativistic Calculations on Hexafluorides

Chemistry of the 5g Elements: Relativistic Calculations on Hexafluorides
Pekka Pyykkö, Jean-Pierre Dognon
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. The shape of things to come: Molecular, relativistic four-component DFT calculations show that the hexafluorides of the elements 125–129 have occupied 5g states, the picture shows the shape of the 5g atomic orbital (m=0–4).

Publisher URL: http://onlinelibrary.wiley.com/resolve/doi

DOI: 10.1002/anie.201701609

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