Abstract
XANES LIII spectra of series Tl, Pb and Bi compounds are studied. The data of DFT-ZORA calculations are in satisfactory agreement with the results of XANES spectroscopy of heavy-element fluorides and oxides. The fine structure of LIII absorption near edge for Tl3+, Pb4+ and Bi5+ ions is associated with transitions to the atomic 6s1/2, 6p1/2 (relativistic allowed) and 6d-7s terms. The "superfluous" lines observed in XANES spectra of Tl+, Pb2+ and Bi3+ oxides and fluorides are associated with the mix of 6s1/2 and 6p3/2 states of heavy 6s2 ions. © 2007 Elsevier B.V. All rights reserved.
Author supplied keywords
Cite
CITATION STYLE
Gabuda, S. P., Kozlova, S. G., Slepkov, V. A., Erenburg, S. B., & Bausk, N. V. (2007). Electronic structure of heavy-element oxides and fluorides: XANES LIII spectroscopy and DFT calculations. Nuclear Instruments and Methods in Physics Research, Section A: Accelerators, Spectrometers, Detectors and Associated Equipment, 575(1–2), 159–161. https://doi.org/10.1016/j.nima.2007.01.049
Register to see more suggestions
Mendeley helps you to discover research relevant for your work.
