https://doi.org/10.1051/epjconf/20123505002
Atomic properties of elements 114 and 118 and their adsorption on inert surfaces
1 Centre for Theoretical Chemistry and Physics, New Zealand Institute for Advanced Study, Massey University, Private Bag 102904, 0745 North Shore MSC, Auckland, New Zealand
2 GSI Helmholtzzentrum für Schwerionenforschung, Darmstadt, Planckstr. 1, D-64291 Germany
3 School of Chemistry, Tel Aviv University, 69978, Tel Aviv, Israel
We present fully relativistic coupled cluster calculations of ionization potentials, electron affinities, and polarizabilities of superheavy elements 114 and 118, along with their lighter homologues, lead and radon. The combination of the 4-component Dirac Hamiltonian with the state of the art coupled cluster approach allows us to achieve very good agreement with experimental values for the lighter elements; similar precision can be expected for our predictions for the superheavy atoms. The trends in the atomic properties are discussed, demonstrating the strong relativistic effects. Using the calculated atomic properties, adsorption enthalpies of the superheavy atoms on inert surfaces are estimated and shown to be rather low for both elements.
© Owned by the authors, published by EDP Sciences, 2012
