X-RAY-ABSORPTION NEAR-EDGE STRUCTURES OF CHLOROFERRATES [(FE(II)CL4)](2-), [(FE(III)CL4)](-) AND [(FE(III)CL6)](3-) - EXPERIMENTAL AND MS-LSD COMPUTATIONAL STUDIES

The influence of electronic and structural effects in FeCl4 and FeCl6 entities has been investigated through X-ray absorption spectroscopy a nd theoretical calculations of electronic transition energies using th e MS-LSD method. The relative importance of the formal oxidation degre e of the metal, the metal-ligand distance, and the symmetry of the sit e on the energy of near-edge structures are studied. The principal eff ect is the stabilization of the iron Is orbital in the ground state wh en the oxidation degree increases. The accuracy of the theoretical det ermination regarding the experimental spectra is discussed. The incide nce of the same electronic parameters on the intensities of near-edge structures is also investigated through a transition cross section cal culation.