Thallium, lead and bismuth compounds

Since electrons in p orbitals come much closer to the nucleus than d and f electrons which feel a higher centrifugal barrier, p orbitals in heavy elements are expected to show the largest spin-orbit splittings. 

Density functional results (BP functional unless otherwise noted) 

Dg calculated from tabulated Dq by adding the zero-point energy, rg and cOg also confirmed by recent investigations, Ref. [119] 

Note that s electrons come even closer to the nucleus, but they are not directly affected by spin-orbit interaction since they are annihilated by the angular momentum operator and thus by H.  

Compared to TIH, there are only a few calculations on the thallium dimer, which are collected in Table 6. Thallium dimer is a very interesting molecule as it shows a new tjq)e of bonding which is entirely caused by spin-orbit coupling [120]. Qualitative calculations on the thallium dimer starting from relativistic atomic orbitals (co-to- 

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E. Oxidation with Thallium, Lead and Bismuth Compounds. 1311... 

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