Quantum-chemical interpretation of the isomer shift on tin compounds

Abstract

Molecular orbital calculations (EHT, IEHT, IEHT + Madelung correction) have been applied to a series of tin halides. A calculation procedure is described to derive the charge density of the electrons at the nucleus ρ(0). The dependence of the isomer shift on covalency effects is demonstrated. The influence of the outer charge of the molecules on the isomer shift is shown. The relative change of nuclear charge radius δR/R is calculated for tin.