title: State-dependent electron delocalization dynamics at the solute-solvent interface: soft-x-ray absorption spectroscopy and ab initio calculations.
abstract: Nonradiative decay channels in the L-edge fluorescence yield spectra from transition-metal-aqueous solutions give rise to spectral distortions with respect to x-ray transmission spectra. Their origin is unraveled here using partial and inverse partial fluorescence yields on the microjet combined with multireference ab initio electronic structure calculations. Comparing Fe2+, Fe3+, and Co2+ systems we demonstrate and quantify unequivocally the state-dependent electron delocalization within the manifold of d orbitals as one origin of this observation.
authors.affiliation: Institut für Physik, Universität Rostock, Universitätsplatz 3, D-18055 Rostock, Germany.
authors.forename: Sergey I
authors.initials: SI
authors.lastname: Bokarev
authors.forename: Marcus
authors.initials: M
authors.lastname: Dantz
authors.forename: Edlira
authors.initials: E
authors.lastname: Suljoti
authors.forename: Oliver
authors.initials: O
authors.lastname: Kühn
authors.forename: Emad F
authors.initials: EF
authors.lastname: Aziz