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State-Dependent Electron Delocalization Dynamics at the Solute-Solvent Interface: Soft X-ray Absorption Spectroscopy and Ab Initio Calculations by Bokarev, Sergey I.; Dantz, Marcus; Suljoti, Edlira; Kühn, Oliver; Aziz, Emad F. is a scholarly article available to read on EtoBox.

What is State-Dependent Electron Delocalization Dynamics at the Solute-Solvent Interface: Soft X-ray Absorption Spectroscopy and Ab Initio Calculations about?

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.

Author

Bokarev, Sergey I.; Dantz, Marcus; Suljoti, Edlira; Kühn, Oliver; Aziz, Emad F.

Published

2013

Language

EN