*2.5. Computational Structural Analysis*

DFT (Density functional theory) computational study was used for structural analysis of CT complexes and optimized geometry with atomic coordinates, strain-free lattice constants, and ground state minimum energy structure are obtained. Gaussian 09RevD.01 program [38] was used for this study. Gradient corrected correlation was applied with Pople's basic set B3LYP/6-311G++ [39]. For visualization of obtained DFT results, Chem-Craft 1.5 software [40] was used.
