title: Anisotropic charge-transfer effects in the asymmetric Fe(CN)5NO octahedron of sodium nitroprusside: a soft X-ray absorption spectroscopy study.
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 Fe(2+) low-spin state with very strong effects of metal-to-ligand charge-transfer from the Fe 3d to NO 2p orbitals.
authors.affiliation: Energy Technology Research Institute, National Institute of Advanced Industrial Science and Technology, Tsukuba, Ibaraki 305-8568, Japan. daisuke-asakura@aist.go.jp.
authors.forename: Yūsuke
authors.initials: Y
authors.lastname: Nanba
authors.forename: Daisuke
authors.initials: D
authors.lastname: Asakura
authors.forename: Masashi
authors.initials: M
authors.lastname: Okubo
authors.forename: Haoshen
authors.initials: H
authors.lastname: Zhou
authors.forename: Kenta
authors.initials: K
authors.lastname: Amemiya
authors.forename: Kozo
authors.initials: K
authors.lastname: Okada
authors.forename: Per-Anders
authors.initials: PA
authors.lastname: Glans
authors.forename: Catherine A
authors.initials: CA
authors.lastname: Jenkins
authors.forename: Elke
authors.initials: E
authors.lastname: Arenholz
authors.forename: Jinghua
authors.initials: J
authors.lastname: Guo