A full multiple scattering model for the analysis of time-resolved X-ray difference absorption spectra

J Phys Chem B. 2006 Jul 27;110(29):14035-9. doi: 10.1021/jp063326o.

Abstract

A full multiple theoretical model (MXAN) is applied to fit picosecond difference X-ray absorption spectra at the ruthenium L(3) edge upon photoexcitation of aqueous [RuII(bpy)3]2+. We show that 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 (3)MLCT 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 experiments where difference X-ray absorption spectra are recorded.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Ligands
  • Models, Chemical*
  • Organometallic Compounds / chemistry
  • Ruthenium / chemistry
  • Sensitivity and Specificity
  • Spectrum Analysis
  • Time Factors
  • X-Rays

Substances

  • Ligands
  • Organometallic Compounds
  • Ruthenium