a Department of Physics, Middle East Technical University, 06531 Ankara, Turkey
b Department of Biology Education, Gazi University, 06500 Ankara, Turkey
Abstract:
The structural and electronic properties of perfluorinated surfactants perfluorooctane sulfonate (PFOS) and lithium perfluorooctane sulfonate (LiPFOS) have been investigated theoretically by performing semi-empirical molecular orbital theory at the level of AM1 calculations. The optimized structure and the electronic properties of the molecules are obtained.