Zinc blende and wurtzite structures CdX, ZnX(with X=Te; Se and S) clusters are investigated in this paper. The analyzed results show that the lowest vibrational frequencies, HOMO-LUMO gaps, dipole moment and Raman spectra present regular changes. The calculated absorption peaks shift to blue in order of CdTe, CdSe, CdS in CdX structures and ZnTe, ZnSe, ZnS in ZnX clusters. Finally, WBI values prove that Cd and Zn atoms have stronger interaction with Te atom than with Se and S atoms.
