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- W3174085930 abstract "Resonant stimulated X-ray Raman spectroscopy of the bimetallic [MnIIIMnIV(μ-O)2(μ-OAC)(tacn)2]2+ manganese complex is investigated in a simulation study. Essential biological processes, including water oxidation in photosynthesis, involve charge transfer between manganese sites of different oxidation states. We study a prototypical binuclear mixed-valence transition-metal complex with two Mn atoms in different oxidation states surrounded by ligand structures and employ a pump–probe sequence of resonant X-ray Raman excitations to follow the charge transfer occurring in the molecule. This allows us to generate and monitor valence-electron wave packets at selected regions in the molecule by exploiting element-specific core-excited states. A two-color protocol is presented, with pump and probe pulses tuned to the Mn and N K-edges. A natural orbital decomposition allows the visualization of the electron dynamics underlying the signal." @default.
- W3174085930 created "2021-07-05" @default.
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- W3174085930 date "2021-06-22" @default.
- W3174085930 modified "2023-10-14" @default.
- W3174085930 title "Resonant Stimulated X-ray Raman Spectroscopy of Mixed-Valence Manganese Complexes" @default.
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- W3174085930 doi "https://doi.org/10.1021/acs.jpclett.1c01190" @default.
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