Search

The interaction of the inert gases Rn and element 118 with various surfaces has been studied on the basis of fully relativistic ab initio Dirac–Coulomb CCSD(T) calculations of atomic properties. The calculated polarizability of element 118, 46.3 a.u., is the largest in group 18, the ionization potential is the lowest at 8.91 eV, and the estimated atomic radius is the largest, 4.55 a.u. These extreme values reflect, in addition to the general trends in the Periodic Table, the relativistic expansion and destabilization of the outer valence 7p3/2 orbital. Van der Waals coefficients C3 and adsorption enthalpies ΔHads of Ne through element 118 on noble metals and inert surfaces, such as quartz, ice, Teflon, and graphite, were calculated in a physisorption model using the atomic properties obtained. The C3 coefficients were shown to steadily increase in group 18, while the increase in ΔHads from Ne to Rn does not continue to element 118: The large atomic radius of the latter element is responsible for a decrease in the interaction energy. We therefore predict that experimental distinction between Rn and 118 by adsorption on these types of surfaces will not be feasible. A possible candidate for separating the two elements is charcoal; further study is needed to test this possibility. [ABSTRACT FROM AUTHOR]

Multiconfiguration Dirac-Fock method is employed to calculate the excitation energies, ionization potentials, oscillator strengths, and radii for all neutral and up to four times ionized species of element Uuq, as well as the homolog elements Ge, Sn, and Pb. Using an extrapolative scheme, improved ionization potentials of Uuq were obtained with an uncertainty of less than 2000 cm-1. Two relatively stronger resonance transitions are predicted for the element Uuq. In particular, the strongest line in Uuq, corresponding to the [6d107s27p3/28s1/2]1→[6d107s27p3/22]2 transition at 22 343 cm-1, just lies in the prime energy region of experimental measurement. [ABSTRACT FROM AUTHOR]