%0 Journal Article
%T State-Dependent Electron Delocalization Dynamics at the Solute-Solvent Interface: Soft X-ray Absorption Spectroscopy and Ab Initio Calculations
%A Sergey I. Bokarev
%A Marcus Dantz
%A Edlira Suljoti
%A Oliver K¨¹hn
%A Emad F. Aziz
%J Physics
%D 2013
%I arXiv
%R 10.1103/PhysRevLett.111.083002
%X Non-radiative decay channels in the L-edge fluorescence spectra from transition metal-aqueous solutions give rise to spectral dips in X-ray transmission spectra. Their origin is unraveled here using partial and inverse partial fluorescence yields on the micro-jet combined with multi-reference ab initio electronic structure calculations. Comparing Fe2+, Fe3+, and Co2+ systems we demonstrate unequivocally that spectral dips are due to a state-dependent electron delocalization within the manifold of d-orbitals.
%U http://arxiv.org/abs/1301.6858v2