Chemistry of the 5g elements. Relativistic calculations on hexafluorides

Jean-Pierre Dognon 1, 2, * Pekka Pyykkö 3, *
* Corresponding author
1 LSDRM - Laboratoire Structure et Dynamique par Résonance Magnétique (LCF)
NIMBE UMR 3685 - Nanosciences et Innovation pour les Matériaux, la Biomédecine et l'Energie (ex SIS2M)
2 LCMCE - Laboratoire de Chimie Moléculaire et de Catalyse pour l'Energie (ex LCCEF)
NIMBE UMR 3685 - Nanosciences et Innovation pour les Matériaux, la Biomédecine et l'Energie (ex SIS2M)
Abstract : A Periodic System was proposed for the elements 1-172 by Pyykkö (Phys. Chem. Chem. Phys. 2011, 13, 161) 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.
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Jean-Pierre Dognon, Pekka Pyykkö. Chemistry of the 5g elements. Relativistic calculations on hexafluorides. Angewandte Chemie (English Edition), John Wiley & Sons, 2017, 56, pp.10132-10134. ⟨http://onlinelibrary.wiley.com/wol1/doi/10.1002/anie.201701609/full⟩. ⟨10.1002/anie.201701609⟩. ⟨cea-01515489⟩

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