X-Ray Absorption Spectroscopic and Multiple Scattering Formalism Investigation of a Posible S-Cu Interaction in the Cu-Sulfenilcarbonilic Ligands

ANDRINI, L.; GIOVANETTI, L. J.; ERBEN, MAURICIO F.; DELLA VÉDOVA, CARLOS O.; REQUEJO, F. G.

Campinas

Workshop; 23ª Reunião Anual de Usuários (RAU) Laboratório Nacional de Luz Síncrotron; 2013

LNLS

In this work, we published a series of results obtained to investigate the sulfur and copper environments in new synthetic covalent sulfenilcarbonilic compounds which can be used as ligands in the coordination chemistry. Previous studies have illustrated the utility of Cu and S K-edge XAS for establishing the electronic structure of copper-sulfur complexes. The K XANES involving 1s-np transitions, more specifically, the XANES pre-edge region has been identified as providing information on the amount of covalent mixing of sulfur and ligand atomic orbitals in various S-compounds. The shape of XANES spectra will re°ect the density of empty states, because in X-ray absorption the excited electron is not free and the dipole transition poses strong selection rules to the ¯nal state (i.e., we will sense site and symmetry for S-atom). The Cu K XANES involving 1s-np and 1s-3d transitions, which enables sensing states of hybridization, unoccupied states like symmetries and charge transfers.