Anisotropic charge-transfer effects in the asymmetric Fe(CN)5NO octahedron of sodium nitroprusside: A soft X-ray absorption spectroscopy study

Y. A L Nanba, Daisuke Asakura, Masashi Okubo, Haoshen Zhou, Kenta Amemiya, Kozo Okada, Per Anders Glans, Catherine A. Jenkins, Elke Arenholz, Jinghua Guo

Research output: Contribution to journalArticle

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Abstract

The electronic structure of Na2[Fe(CN)5NO] ·2H2O (sodium nitroprusside: SNP) was investigated by using soft X-ray absorption (XA) spectroscopy. The Fe L2,3-edge XA spectrum of SNP exhibited distinct and very large satellite peaks for L3 and L2 regions, which is different from the spectra of hexacyanoferrates and the other iron compounds. A configuration-interaction full-multiplet calculation, in which the ligand molecular orbitals for the C4v symmetry were taken into account, revealed the Fe2+ low-spin state with very strong effects of metal-to-ligand charge-transfer from the Fe 3d to NO 2p orbitals.

Original languageEnglish
Pages (from-to)7031-7036
Number of pages6
JournalPhysical Chemistry Chemical Physics
Volume16
Issue number15
DOIs
Publication statusPublished - Apr 21 2014

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X ray absorption spectroscopy
Nitroprusside
Charge transfer
absorption spectroscopy
charge transfer
sodium
Iron Compounds
Ligands
iron compounds
ligands
X ray absorption
Molecular orbitals
configuration interaction
Electronic structure
Absorption spectra
molecular orbitals
x rays
Metals
fine structure
Satellites

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry
  • Physics and Astronomy(all)

Cite this

Anisotropic charge-transfer effects in the asymmetric Fe(CN)5NO octahedron of sodium nitroprusside : A soft X-ray absorption spectroscopy study. / Nanba, Y. A L; Asakura, Daisuke; Okubo, Masashi; Zhou, Haoshen; Amemiya, Kenta; Okada, Kozo; Glans, Per Anders; Jenkins, Catherine A.; Arenholz, Elke; Guo, Jinghua.

In: Physical Chemistry Chemical Physics, Vol. 16, No. 15, 21.04.2014, p. 7031-7036.

Research output: Contribution to journalArticle

Nanba, Y. A L ; Asakura, Daisuke ; Okubo, Masashi ; Zhou, Haoshen ; Amemiya, Kenta ; Okada, Kozo ; Glans, Per Anders ; Jenkins, Catherine A. ; Arenholz, Elke ; Guo, Jinghua. / Anisotropic charge-transfer effects in the asymmetric Fe(CN)5NO octahedron of sodium nitroprusside : A soft X-ray absorption spectroscopy study. In: Physical Chemistry Chemical Physics. 2014 ; Vol. 16, No. 15. pp. 7031-7036.
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AU - Okubo, Masashi

AU - Zhou, Haoshen

AU - Amemiya, Kenta

AU - Okada, Kozo

AU - Glans, Per Anders

AU - Jenkins, Catherine A.

AU - Arenholz, Elke

AU - Guo, Jinghua

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