The aim of the present paper is to extend the point bond model to metal complexes with d electronic configuration. The energy matrices have been calculated according to the strong field model also taking into account the interelectronic repulsion and spin-orbit coupling perturbations.
Electronic and magnetic properties of Re(DPE)X (X = Cl, I DPE = 1 ,2 bis(diphenylphosphino)ethane and IrCl(PPh) are reported. Using the angular overlap model, it was possible to assign the bands observed and to rationalise the magnetic properties of these complexes. Electronic spectra anomalies of IrCl(PPh) depend upon charge transfer bands and d—d interactions.
A SCF-MO-INDO simplified method, useful in inorganic theoretical chemistry, has been developed and applied to some complexes with a tetradentate ligand (acacen) which react reversibly with oxygen. Even the monomeric oxygen adducts have been considered. The relative energies of the ground state configuration of the cobalt complexes have been related in a preliminary discussion with the tendency of complexes to interact with molecular oxygen.
Electronic spectra, dipole moment, magnetic properties of ReI(P(OPh)) are investigated with the aim of determining whether the symmetry of the complex is C (mer) or C (cis-fac). Experimental data suggest that the mer configuration is more probable.
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