title: A theoretical study of the L3 pre-edge XAS in Cu(II) complexes.
abstract: L2,3 spectra of Cu(II) complexes have been simulated by means of time dependent DFT. Besides the agreement between theory and experiment, the adopted approach provided further insights into the use of the Cu(II) L3-edge intensity and position to investigate the Cu-ligand symmetry-restricted covalency and the ligand-field strength.
authors.affiliation: Department of Chemical Sciences and INSTM, via Marzolo 1, 35131 Padova, Italy. maurizio.casarin@unipd.it.
authors.forename: G
authors.initials: G
authors.lastname: Mangione
authors.forename: M
authors.initials: M
authors.lastname: Sambi
authors.forename: M V
authors.initials: MV
authors.lastname: Nardi
authors.forename: M
authors.initials: M
authors.lastname: Casarin