Force constant of transition metal ion–ligand bonds: molecular-orbital calculations

Abstract

Values of force constants for transition-metal-ion–ligand bonds calculated using the intermediate neglect of differential overlap. INDO/2-MO, method are given. The results obtained from the INDO/2-MO method agree well with those obtained from vibrational spectroscopic data. Values of force constants have also been computed using the classical improved average dipole orientation (IADO) method and these data are found to be in good agreement with those obtained from vibration spectroscopic data. The agreement of the force constants calculated using the INDO/2-MO method with those obtained from the IADO method further supports the validity of the latter.