Quantifying covalent interactions with resonant inelastic soft X-ray scattering: Case study of Ni2+ aqua complex
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Publication date
2017-02
Authors
Kunnus, K.
Josefsson, I.
Schreck, S.
Quevedo, W.
Miedema, P.S.
Techert, S.
de Groot, Frank
Föhlisch, A.
Odelius, M.
Wernet, Ph
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Article
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Abstract
We analyze the effects of covalent interactions in Ni 2p3d resonant inelastic X-ray scattering (RIXS) spectra from aqueous Ni2+ ions and find that the relative RIXS intensities of ligand-to-metal charge-transfer final states with respect to the ligand-field final states reflect the covalent mixing between Ni 3d and water orbitals. Specifically, the experimental intensity ratio at the Ni L3-edge allows to determine that the Ni 3d orbitals have on average 5.5% of water character. We propose that 2p3d RIXS at the Ni L3-edge can be utilized to quantify covalency in Ni complexes without the use of external references or simulations.
Keywords
Transition-metal ion, Aqueous solution, Covalent interaction, Resonant Inelastic X-ray Scattering, Ligand-field state, Charge-transfer state, Taverne
Citation
Kunnus, K, Josefsson, I, Schreck, S, Quevedo, W, Miedema, P S, Techert, S, de Groot, F M F, Föhlisch, A, Odelius, M & Wernet, P 2017, 'Quantifying covalent interactions with resonant inelastic soft X-ray scattering: Case study of Ni2+ aqua complex', Chemical Physics Letters, vol. 669, pp. 196-201. https://doi.org/10.1016/j.cplett.2016.12.046