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.
https://hal-cea.archives-ouvertes.fr/cea-01515489 Contributor : Serge PalacinConnect in order to contact the contributor Submitted on : Thursday, April 27, 2017 - 3:25:53 PM Last modification on : Tuesday, May 3, 2022 - 6:26:04 PM Long-term archiving on: : Friday, July 28, 2017 - 1:17:01 PM
Jean-Pierre Dognon, Pekka Pyykkö. Chemistry of the 5g elements. Relativistic calculations on hexafluorides. Angewandte Chemie International Edition, Wiley-VCH Verlag, 2017, 56, pp.10132-10134. ⟨10.1002/anie.201701609⟩. ⟨cea-01515489⟩