期刊
PHYSICAL CHEMISTRY CHEMICAL PHYSICS
卷 16, 期 15, 页码 7031-7036出版社
ROYAL SOC CHEMISTRY
DOI: 10.1039/c3cp55471f
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资金
- Office of Science, Office of Basic Energy Science, of the U.S. Department of Energy [DE-AC02-05CH11231]
The electronic structure of Na-2[ Fe(CN)(5)NO]center dot 2H(2)O (sodium nitroprusside: SNP) was investigated by using soft X-ray absorption (XA) spectroscopy. The Fe L-2,L-3-edge XA spectrum of SNP exhibited distinct and very large satellite peaks for L-3 and L-2 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 C-4v 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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