Density Functional Theory Studies of Structural and Electronic Properties for Some Complexes

Abstract

The various properties of the ground electronic states of Tin complexes using density
functional theory (DFT) were calculated by the Lee-Yang-Parr (B3LYP) density functional model with
Stuttgart Dresden triple zeta SDD by Gaussian 09 W program. In this work, the optimized structures,
total energies, electronic properties, and dipole moment were calculated. It has clearly seen, all
molecular structures that have different forms were shown clearly the effect of chemical groups with a
metallic atom on the behavior of total energies, electronic properties, and dipole moment.