Effects of relativity on the superheavy dimers M2, M = Nh-Og

Abstract

Nh2, Fl2, Mc2, Lv2, Ts2, and Og2 are used to investigate the effects of relativity on the 7th row in the periodic table. The present theoretical molecular data suggest the domination of p-orbitals for chemical bonding with non relativistic effects, scalar relativistic effects and spin-orbit relativistic effects on superheavy elements. Furthermore, the decomposition of two-component double group irreps into linear combinations of conventional single group irreps revealed the bonding/antibonding character and trend of bond lengths in these superheavy homonuclear dimers.