Electronic structure and isomer shifts of Sn halides

Abstract
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 Sn119 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.