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

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13 Citations (Scopus)

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

ASJC Scopus subject areas

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

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