farahnaz jalilian - shahid chamran univeersity
sepideh samiee
zabiollah mahdavifar

The structure and some molecular properties of tThe CdXCdX 2(L)(L) n (L = Me2PCH 2CHCOCH 3; X = Cl, Br, I and n = 1, 2) complexes have been studied by using density functional theory (DFT) B3LYP/LANL2DZ level of theory. In complexes CdCl2(L), ligand coordinated to metal center through the P atom phosphine group and Cα atom. In complexes CdCl2(L) 2, ligand coordinated to metal center only ,Cthrough the Cα atom. In this work bond lengths, bond.angles binding energies and gap energy of coplexes are also investigated