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Quantifying covalent interactions with resonant inelastic soft X-ray scattering: Case study of Ni2+ aqua complex
Stockholms universitet, Naturvetenskapliga fakulteten, Fysikum.ORCID-id: 0000-0002-8621-4282
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Rekke forfattare: 102017 (engelsk)Inngår i: Chemical Physics Letters, ISSN 0009-2614, E-ISSN 1873-4448, Vol. 669, s. 196-201Artikkel i tidsskrift (Fagfellevurdert) Published
Abstract [en]

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 L-3-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 L-3-edge can be utilized to quantify covalency in Ni complexes without the use of external references or simulations.

sted, utgiver, år, opplag, sider
2017. Vol. 669, s. 196-201
Emneord [en]
Transition-metal ion, Aqueous solution, Covalent interaction, Resonant inelastic X-ray scattering, Ligand-field state, Charge-transfer state
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Identifikatorer
URN: urn:nbn:se:su:diva-140293DOI: 10.1016/j.cplett.2016.12.046ISI: 000392774900032Scopus ID: 2-s2.0-85007402702OAI: oai:DiVA.org:su-140293DiVA, id: diva2:1081299
Tilgjengelig fra: 2017-03-13 Laget: 2017-03-13 Sist oppdatert: 2022-10-20bibliografisk kontrollert

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Josefsson, IdaOdelius, Michael

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