Electronic structure and isomer shifts of Sn halides

The all-electron first-principles discrete variational method was employed to study the electronic structure of SnF₄, SnCl₄, SnBr₄, and SnI₄. Values of the electronic density at the Sn nucleus were derived and related to ¹¹⁹Sn isomer shifts to obtain the nuclear constant {Δ}〈r²〉. Differences in values of {ρ}(0) are discussed in terms of the chemical bonding between Sn and halogen atoms.