Berlin 2014 – wissenschaftliches Programm

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MO: Fachverband Molekülphysik

MO 8: Electronic Spectroscopy 1

MO 8.4: Vortrag

Dienstag, 18. März 2014, 15:00–15:15, BEBEL HS213

Orbital mixing and charge transfer in aqueous ferric and ferrous aqueous solutions — •Jie Xiao, Isaak Unger, Ronny Golnak, Bernd Winter, Núria Llobera Vila, Marvin Pohl, Edlira Suljoti, and Emad F. Aziz — Department of Functional Materials in Solution, BESSY II, Helmholtz Zentrum Berlin, Berlin, Germany

Charge transfer processes in Fe3+ and Fe2+ aqueous solutions were analyzed based on combined energy-resolved photon and electron detections following soft X-ray excitation and ionization of a liquid micro-jet in vacuum. From the Auger-electron spectra and X-ray emission spectra, we access the ultrafast electron delocalization between ionic solute and water solvent. Experimentally, iron-water interactions are unequivocally identified through strong and orbital-specific intensity variations of the resonant photoelectron (RPE) spectra, and we also discuss how RPE spectra correlate with the respective X-ray emission spectra. Different Auger-decay channels, involving valence electrons versus deeper bound electrons, and X-ray emissions were investigated to reveal the state-dependent charge delocalization in iron ionic aqueous solution. Fe3+(aq) is found to exhibit larger charge transfer than Fe2+(aq). Our experimental results will be discussed with the help of DFT calculations.