PNNL

Abstract

Resonant stimulated X-ray Raman spectroscopy of the bimetallic [MnIIIMnIV(-O)2 (-OAC)(tacn)2]2+ manganese complex is investigated in a simulation study. A pump–probe sequence of resonant X-ray Raman excitations is employed 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.