Published January 1, 2007
| Version v1
Report
EXAFS analysis with self-consistent atomic potentials
Description
Theoretical EXAFS spectra generated by FEFF6 and FEFF8 are compared. As a test of the effect of charge transfer on EXAFS analysis, we examine the aqueous uranyl (UO22+) ion. We find that the major difference between FEFF8 and FEFF6 is the edge energy position of approximately 5 eV. Modest changes in the forward focusing multiple scattering path of the uranyl resulting with FEFF8 produce a better model of the measured hydrated uranyl spectrum
Availability note (English)
Available from AIP Conf. Proc., X-Ray Absorption Fine Structure (XAFS 13), edited by B. Hedman, et al., AIP : New York, Volume 882, pp. 135-37Additional details
Publishing Information
- Imprint Pagination
- 135 p.
- Report number
- ANL/BIO/CP--57990
Conference
- Title
- 13. International Conference on X-Rays Absorption Fine Structure
- Acronym
- XAFS 13
- Dates
- 9-14 Jul 2006
- Place
- Stanford, CA (United States)
INIS
- Country of Publication
- United States
- Country of Input or Organization
- United States
- INIS RN
- 40089037
- Subject category
- S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; S38: RADIATION CHEMISTRY, RADIOCHEMISTRY AND NUCLEAR CHEMISTRY;
- Resource subtype / Literary indicator
- Conference, Non-conventional Literature
- Descriptors DEI
- ABSORPTION SPECTROSCOPY; FINE STRUCTURE; MULTIPLE SCATTERING; URANYL COMPOUNDS; X-RAY SPECTROSCOPY
- Descriptors DEC
- ACTINIDE COMPOUNDS; SCATTERING; SPECTROSCOPY; URANIUM COMPOUNDS
Optional Information
- Contract/Grant/Project number
- AC02-06CH11357
- Funding organization
- USDOE Office of Science (United States)