TY - JOUR
T1 - Anisotropic charge-transfer effects in the asymmetric Fe(CN)5NO octahedron of sodium nitroprusside
T2 - A soft X-ray absorption spectroscopy study
AU - Nanba, Y. A.L.
AU - Asakura, Daisuke
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
PY - 2014/4/21
Y1 - 2014/4/21
N2 - 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.
AB - 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.
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U2 - 10.1039/c3cp55471f
DO - 10.1039/c3cp55471f
M3 - Article
AN - SCOPUS:84897856079
SN - 1463-9076
VL - 16
SP - 7031
EP - 7036
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 15
ER -