Distinguishing between high- and low-spin states for divalent Mn in Mn-based Prussian blue analogue by high-resolution soft X-ray emission spectroscopy

Daisuke Asakura*, Yusuke Nanba, Masashi Okubo, Yoshifumi Mizuno, Hideharu Niwa, Masaharu Oshima, Haoshen Zhou, Kozo Okada, Yoshihisa Harada

*この研究の対応する著者

研究成果: Article査読

19 被引用数 (Scopus)

抄録

We combine Mn L2,3-edge X-ray absorption, high resolution Mn 2p - 3d - 2p resonant X-ray emission, and configuration - interaction full-multiplet (CIFM) calculation to analyze the electronic structure of Mn-based Prussian blue analogue. We clarified the Mn 3d energy diagram for the Mn2+ low-spin state separately from that of the Mn2+ high-spin state by tuning the excitation energy for the X-ray emission measurement. The obtained X-ray emission spectra are generally reproduced by the CIFM calculation for the Mn2+ low spin state having a stronger ligand-to-metal charge-transfer effect between Mn t2g and CN π orbitals than the Mn2+ high spin state. The d - d-excitation peak nearest to the elastic scattering was ascribed to the Mn2+ LS state by the CIFM calculation, indicating that the Mn2+ LS state with a hole on the t2g orbital locates near the Fermi level. (Chemical Equation Presented).

本文言語English
ページ(範囲)4008-4013
ページ数6
ジャーナルJournal of Physical Chemistry Letters
5
22
DOI
出版ステータスPublished - 2014 11月 20
外部発表はい

ASJC Scopus subject areas

  • 材料科学(全般)
  • 物理化学および理論化学

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