Dirac-Fock-Breit-Gaunt calculations for the reaction Og + 6 CO -> Og(CO)6 or Og(OC)6

TL;DR

This paper presents relativistic Dirac-Fock-Breit-Gaunt calculations to analyze the structural differences in Og(CO)6) isomers, highlighting the importance of relativistic effects in heavy element chemistry.

Contribution

It introduces all-electron relativistic calculations for Og(CO)6) isomers, providing new insights into their structural differences.

Findings

Relativistic effects significantly alter Og(CO)6) isomer structures.

Differences observed between relativistic and non-relativistic calculations.

Relativistic calculations are essential for accurate modeling of superheavy element compounds.

Abstract

Our all electron (DFBG) calculations show differences between relativistic and non-relativistic calculations for the structure of the isomers of Og(CO)6