A Full Multiple Scattering Model for the Analysis of Time-Resolved X-ray Difference Absorption Spectra
- 30 June 2006
- journal article
- Published by American Chemical Society (ACS) in The Journal of Physical Chemistry B
- Vol. 110 (29), 14035-14039
- https://doi.org/10.1021/jp063326o
Abstract
A full multiple theoretical model (MXAN) is applied to fit picosecond difference X-ray absorption spectra at the ruthenium L3 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 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 experiments where difference X-ray absorption spectra are recorded.Keywords
This publication has 23 references indexed in Scilit:
- Measurement of femtometre-scale atomic displacements by X-ray absorption spectroscopyNature, 2005
- Picosecond TimeResolved XRay Absorption Spectroscopy of Solvated Organometallic ComplexesPhysica Scripta, 2005
- Advances in the Theoretical Analysis of the XANES Xray Absorption Near Edge Structure Energy Region for Quantitative Structural UsePhysica Scripta, 2005
- Full Quantitative Multiple-Scattering Analysis of X-ray Absorption Spectra: Application to Potassium Hexacyanoferrat(II) and -(III) ComplexesJournal of the American Chemical Society, 2004
- Observing Photochemical Transients by Ultrafast X-Ray Absorption SpectroscopyPhysical Review Letters, 2003
- Combined XANES and EXAFS analysis of and aqueous solutionsPhysical Review B, 2002
- The Removal of the Muffin-Tin Approximation and Use of Self-Consistent-Field Electron Densities for Calculating the K -Edge X-Ray Absorption Near-Edge Structure of ChlorineEurophysics Letters, 1995
- General multiple-scattering scheme for the computation and interpretation of x-ray-absorption fine structure in atomic clusters with applications to , , and moleculesPhysical Review B, 1992
- Crystal and molecular structures of [Ru(bpy)3](PF6)3 and [Ru(bpy)3](PF6)2 at 105 KJournal of the American Chemical Society, 1992
- The Numerical Solution of Schrödinger's EquationPhysical Review B, 1934