High resolution study of Kb' and Kb1,3 X-ray emission lines from Mn-compounds

S. LIMANDRI, S. CEPPI, G. TIRAO, G. STUTZ, C.G. SÁNCHEZ , J.A. RIVEROS

CHEMICAL PHYSICS

Elsevier Science BV

Lugar: Holanda ; Año: 2010 vol. 367 p. 93 - 98

0301-0104

High-resolution Kb emission spectra of several manganese compounds were measured in order to characterize the dependence of the Kb´ and Kb1,3 features, on the chemical environment. High resolution spectra were obtained using a non-conventional spectrometer based on quasi-back-diffraction geometry at National Synchrotron Light Laboratory (LNLS). It was found that the energy of the Kb´ satellite structure relative to the main Kb1,3 line decreases linearly with the formal oxidation state for Mn–O systems. A noticeable dispersion of the relative Kb0 energy for different Mn2+ compounds could be observed. The dependence of the Kb0 satellite line on the net charge and the effective 3d spin in Mn2+ compounds was investigated. Calculations of the net charge and the effective 3d spin were performed within the density-functional theory using the package SIESTA. A direct relation between this dispersion and the effective Mn 3d spin was found.