English   español  
Please use this identifier to cite or link to this item: http://hdl.handle.net/10261/19488
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

The interplay of the 3d9 and 3d10L electronic configurations in the copper K-edge XANES spectra of Cu(II) compounds

AuthorsChaboy, Jesús; Muñoz-Páez, Adela ; Sánchez Marcos, Enrique
Issue Date1-Dec-2006
PublisherBlackwell Publishing
CitationResearch Gate 13(6):471-6 (2006)
AbstractA theoretical analysis of the X-ray absorption near-edge structure spectra at the Cu K-edge in several divalent copper [Cu(II)] compounds showing a distorted nearest-neighborhood around copper is presented. The experimental spectra of CuO and KCuF(3) have been compared with computations performed in the framework of the multiple-scattering theory. The results show that ab initio single-channel multiple-scattering calculations are not able to reproduce the experimental spectra. On the contrary, the experimental spectra can be accounted for by using two excitation channels and the sudden limit of the multichannel multiple-scattering theory. The comparison between experimental data and computations indicates that both 3d(9) and 3d(10)L electronic configurations are needed to account for the absorption process in these systems, suggesting that this is the general case for the K-edge XANES of divalent copper compounds.
Publisher version (URL)http://dx.doi.org/10.1107/S0909049506037800
URIhttp://hdl.handle.net/10261/19488
DOI10.1107/S0909049506037800
ISSN0909-0495
Appears in Collections:(ICMA) Artículos
Files in This Item:
There are no files associated with this item.
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.