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Chemistry of the 5g Elements: Relativistic Calculations on Hexafluorides
Author(s) -
Dog JeanPierre,
Pyykkö Pekka
Publication year - 2017
Publication title -
angewandte chemie
Language(s) - English
Resource type - Journals
eISSN - 1521-3757
pISSN - 0044-8249
DOI - 10.1002/ange.201701609
Subject(s) - chemistry , ionic bonding , relativistic quantum chemistry , component (thermodynamics) , computational chemistry , chemical physics , ion , atomic physics , physics , thermodynamics , organic chemistry
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.