The results of calculations outlining aspects of the chemistry of element 112, element 114, and element 118 are compared to those for their 6th row analogues Hg, Pb, and Rn, respectively. Element 112 and element 114 are found to be relatively inert as compared to Hg and Pb, while element 118 is much more active than radon. Spin-orbit coupling plays a dominant role in this behavior.
Relativistic effective core potentials and spin-orbit operators are used in relativistic configuration interaction calculations to explore the effects of spin-orbit coupling on the electronic structures of atoms and molecules of elements 114 and 118. The monohydrides of group IVA and the tetrafluorides of group VIIIA are examined in order to provide examples of trends within families among the various periods. The spin-orbit effect is found to play a dominant role in the determination of atomic and molecular properties. Several nonintuitive consequences of spin-orbit coupling are presented, including the depiction of element 114 as a closed-shell "noble" atom and the suggestion that the VSEPR theory is inadequate to describe the geometry of the rare gas tetrafluoride, (118)F.
Two-component relativistic density-functional calculations of the dimers of the halogens from bromine through element 117 using effective core potential and all-electron methods
When relativistic considerations are taken into account it seems likely that the tetrafluoride of the noble gas element 118 does not favor a square‐planar geometry like the lighter homologues XeF4 and RnF4, but rather a tetrahedral geometry as a result of large spin‐orbit effects (see picture).
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