Lithium K-edge XANES spectra for lithium compounds

Junichi Tsuji, Hirohide Nakamatsu, T. Mukoyama, Kazuo Kojima, Shigero Ikeda, Kazuo Taniguchi

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Abstract

Lithium K-edge x-ray absorption near-edge structure (XANES) spectra of Li metal, Li2S, Li2O, LiOH·H2O, Li2CO3, Li3PO4, Li2SO4·H2O and LiNO3 were studied by the total electron yield method. Peaks were observed at 59.9, 60.3 and 61.4 eV in the XANES spectra of Li3PO4, Li2SO4·H2O and LiNO3, respectively. The peak of the each sample was assigned as the core exciton. In the XANES spectra of Li2O, Li2S, Li metal, LiOH·H2O and Li2CO3, there were shoulder structures at the same energy. To clarify the origin of each peak, the XANES spectra were examined with the discrete variational (DV)-Xα molecular orbital method. Comparing the measured spectra with the calculated wavefunction, the shoulder structures at 61.8 eV (Li2O) and 60.4 eV (Li2S) in the XANES spectra were assigned as the core excitons, which appeared as remarkable exciton peaks in the lithium halide spectra. The spectrum of each lithium compound could be classified according to the shape of the core exciton peak, namely either a sharp or a shoulder structure. The strength of the ionic bond determined which of these shapes a core exciton peak assumed.

Original languageEnglish
Pages (from-to)319-326
Number of pages8
JournalX-Ray Spectrometry
Volume31
Issue number4
DOIs
Publication statusPublished - Jul 2002

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Lithium Compounds
Lithium
X rays
Metals
Molecular orbitals
Wave functions
LDS 751
Electrons

ASJC Scopus subject areas

  • Spectroscopy

Cite this

Tsuji, J., Nakamatsu, H., Mukoyama, T., Kojima, K., Ikeda, S., & Taniguchi, K. (2002). Lithium K-edge XANES spectra for lithium compounds. X-Ray Spectrometry, 31(4), 319-326. https://doi.org/10.1002/xrs.577

Lithium K-edge XANES spectra for lithium compounds. / Tsuji, Junichi; Nakamatsu, Hirohide; Mukoyama, T.; Kojima, Kazuo; Ikeda, Shigero; Taniguchi, Kazuo.

In: X-Ray Spectrometry, Vol. 31, No. 4, 07.2002, p. 319-326.

Research output: Contribution to journalArticle

Tsuji, J, Nakamatsu, H, Mukoyama, T, Kojima, K, Ikeda, S & Taniguchi, K 2002, 'Lithium K-edge XANES spectra for lithium compounds', X-Ray Spectrometry, vol. 31, no. 4, pp. 319-326. https://doi.org/10.1002/xrs.577
Tsuji J, Nakamatsu H, Mukoyama T, Kojima K, Ikeda S, Taniguchi K. Lithium K-edge XANES spectra for lithium compounds. X-Ray Spectrometry. 2002 Jul;31(4):319-326. https://doi.org/10.1002/xrs.577
Tsuji, Junichi ; Nakamatsu, Hirohide ; Mukoyama, T. ; Kojima, Kazuo ; Ikeda, Shigero ; Taniguchi, Kazuo. / Lithium K-edge XANES spectra for lithium compounds. In: X-Ray Spectrometry. 2002 ; Vol. 31, No. 4. pp. 319-326.
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