Determination of structural and spectroscopic parameters of some transitions metal(II) chlorides by using gaussian 03W program

ABSTRACTIn this study, the molecular structure of M(II)X2 [M=Mn, Fe, Co, Ni, Cu, Zn, Cd, Hg; X=Cl] molecules and MXn [M=Zn, Cd, Hg; X=Cl, Br; n=3, 4] complexes at the global minimum have been calculated using the MPW1PW91/gen(Cl:6-31g(2df) M:sddall, sdd) metod implemented the Gaussian 03W program. Based on these structure the geometric (bond length, bond angle) and the vibrational (wavenumbers of normal modes and their İnfrared , Raman İntensities) parameters and some other molecular properties have been determined. The calculated values have been compared with the experimental ones.