English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/65191
Share/Impact:
Statistics
logo share SHARE logo core CORE   Add this article to your Mendeley library MendeleyBASE

Visualizar otros formatos: MARC | Dublin Core | RDF | ORE | MODS | METS | DIDL
Exportar a otros formatos:

Title

Structural analysis of ultrafast extended x-ray absorption fine structure with subpicometer spatial resolution: Application to spin crossover complexes

AuthorsGawelda, W.; Pham, V. -T.; Van Der Veen, R. M.; Grolimund, D.; Abela, R.; Chergui, M.; Bressler, C.
Issue Date2009
PublisherAmerican Institute of Physics
CitationJournal of Chemical Physics 130: 124520 (2009)
AbstractWe present a novel analysis of time-resolved extended x-ray absorption fine structure (EXAFS) spectra based on the fitting of the experimental transients obtained from optical pump/x-ray probe experiments. We apply it to the analysis of picosecond EXAFS data on aqueous [FeII (bpy)3] 2+, which undergoes a light induced conversion from its low-spin (LS) ground state to the short-lived (τ≈650 ps) excited high-spin (HS) state. A series of EXAFS spectra were simulated for a collection of possible HS structures from which the ground state fit spectrum was subtracted to generate transient difference absorption (TA) spectra. These are then compared with the experimental TA spectrum using a least-squares statistical analysis to derive the structural change. This approach reduces the number of required parameters by cancellation in the differences. It also delivers a unique solution for both the fractional population and the extracted excited state structure. We thus obtain a value of the Fe-N bond elongation in the HS state with subpicometer precision (0.203±0.008 Å). © 2009 American Institute of Physics.
URIhttp://hdl.handle.net/10261/65191
DOI10.1063/1.3081884
Identifiersdoi: 10.1063/1.3081884
issn: 0021-9606
Appears in Collections:(CFMAC-IO) Artículos
Files in This Item:
File Description SizeFormat 
Gawelda.pdf1,52 MBAdobe PDFThumbnail
View/Open
Show full item record
Review this work
 

Related articles:


WARNING: Items in Digital.CSIC are protected by copyright, with all rights reserved, unless otherwise indicated.