Chemistry of the 5g Elements: Relativistic Calculations on Hexafluorides

2017/04/26 by Jean‐Pierre Dognon, Pekka Pyykkö · 1 citation
Physics and Astronomy · Chemistry · #Advanced Chemical Physics Studies #Inorganic Fluorides and Related Compounds #History and advancements in chemistry #Ionic bonding #Chemistry #Relativistic quantum chemistry #Component (thermodynamics) #Basis (linear algebra) #Computational chemistry #Ion #Chemical physics #Physical chemistry #Atomic physics #Physics #Thermodynamics #Organic chemistry

paper · doi:10.1002/anie.201701609

openalex publication_date 2017/04/26 · openalex created_date 2017/05/05 · openalex updated_date 2026/07/22

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.

Citations

• Are MCDF calculations 101% correct in the super-heavy elements range?
• SCF Dirac–Slater Calculations of the Translawrencium Elements
• Electronic configurations and the periodic table for superheavy elements
• The continuation of the periodic table up to Z = 172. The chemistry of superheavy elements
• A new hybrid exchange–correlation functional using the Coulomb-attenuating method (CAM-B3LYP)
• Electronic Configurations of Superheavy Elements
• A suggested periodic table up to Z ≤ 172, based on Dirac–Fock calculations on atoms and ions
• 4-Component correlated all-electron study on Eka-actinium Fluoride (E121F) including Gaunt interaction: Accurate analytical form, bonding and influence on rovibrational spectra

Cited by

• Extended periodic table [wikipedia]

Related

• A suggested periodic table up to Z ≤ 172, based on Dirac–Fock calculations on atoms and ions
• Chemistry of the superheavy elements
• Chemistry of superheavy transition metals
• Periodic Law of Chemistry Overturns for Superheavy Elements
• Evolution of the periodic table through the synthesis of new elements