Correlation between X-ray chemical shift and partial charge in Tc(IV) complexes: Determination of Tc partial charge in TcnOy(4n-2y)+

摘要

The chemical shift of the X-ray absorption K-edge of Tc(IV) complexes determined by X-ray Absorption Spectroscopy (XAS) measurement was studied. A correlation between edge position (AE) and partial charge on Tc atoms (delta(Tc)) was determined. This correlation was used to determinate delta(Tc) in TenOy(4n-2y)+. Furthermore, a theoretical relation between delta(Tc) and the charge of Tc-n O-y((4-2y)+), was also established and the overall charge of this complex was estimated.