A full multiple theor. model (MXAN) is applied to fit picosecond difference x-ray absorption spectra at the Ru L3 edge upon photoexcitation of aq. [RuII(bpy)3]2+. Fitting difference spectra allows an increase in sensitivity, such that slight structural changes can be retrieved, which are not detected in fitting full spectra. The Ru-N bond distances of the excited complex in the 3MLCT state are in good agreement with recently published values. The implementation of the present approach to L-edge spectra and its high sensitivity opens opportunities for its extension to a large class of expts. where difference x-ray absorption spectra are recorded. [on SciFinder (R)]
Majed Chergui, Malte Oppermann, Jérémy Raymond Jean Maurice Rouxel
Majed Chergui, Camila Bacellar Cases Da Silveira
Majed Chergui, Camila Bacellar Cases Da Silveira, Rebecca Ann Ingle, Luca Longetti, Thomas Roland Barillot, Daniel Hollas, Ludmila Maria Diniz Leroy