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Local Structure Study of Lanthanide Elements by X-Ray Absorption Near Edge Structure Spectroscopy.

Hiroyuki AsakuraSaburo HosokawaKentaro TeramuraTsunehiro Tanaka
Published in: Chemical record (New York, N.Y.) (2019)
This paper describes a systematic study of the spectra and local structures of lanthanide (Ln) L-edge XANES. We found that Ln L1 and L3 -edge XANES spectra exhibit characteristic features correlated to their local symmetry through experimental and theoretical simulations. We also propose a simple local structure index criterion for a combination of XANES study and theoretical simulation. Possible solutions of intrinsic problems such as low resolution of characteristic features in the Ln L-edge XANES and site distributions are also discussed.
Keyphrases
  • single molecule
  • high resolution
  • mental health
  • computed tomography
  • molecular dynamics
  • mass spectrometry
  • density functional theory