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- W4300901002 abstract "Resonant inelastic X-ray scattering (RIXS) and X-ray absorption (XA) experiments at the iron L- and nitrogen K-edge are combined with high-level first principles restricted active space self-consistent field (RASSCF) calculations for a systematic investigation of the nature of the chemical bond in potassium ferrocyanide in aqueous solution. The atom- and site-specific RIXS excitations allow for direct observation of ligand-to-metal (Fe L-edge) and metal-to-ligand (N K-edge) charge transfer bands and thereby evidence for strong {sigma}-donation and {pi}-back-donation. The effects are identified by comparing experimental and simulated spectra related to both the unoccupied and occupied molecular orbitals in solution." @default.
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- W4300901002 date "2013-12-01" @default.
- W4300901002 modified "2023-10-12" @default.
- W4300901002 title "Chemical Bonding in Aqueous Ferrocyanide: Experimental and Theoretical X-ray Spectroscopic Study" @default.
- W4300901002 doi "https://doi.org/10.48550/arxiv.1312.0236" @default.
- W4300901002 hasPublicationYear "2013" @default.
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