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  2. Research Data to publication "Resonant inelastic X-ray scattering tools to count 5f electrons of actinides and probe bond covalency"
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    Datenpaket: Research Data to publication "Resonant inelastic X-ray scattering tools to count 5f electrons of actinides and probe bond covalency"

    Alternativer Identifier:
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    Verwandter Identifier:
    (Is Identical To) https://publikationen.bibliothek.kit.edu/1000175395 - URL
    Ersteller/in:
    Schacherl, Bianca https://orcid.org/0000-0003-4542-0108 [Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)]

    Tagliavini, Michelangelo [Universität Heidelberg (Universität Heidelberg)]

    Kaufmann-Heimeshoff, Hanna [Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)]

    Göttlicher, Jörg [Institut für Photonenforschung und Synchrotronstrahlung (IPS), Karlsruher Institut für Technologie (KIT)]

    Mazzanti, Marinella [Mazzanti, Marinella]

    Popa, Karin [Popa, Karin]

    Walter, Olaf [Walter, Olaf]

    Pruessmann, Tim https://orcid.org/0000-0002-7903-9199 [Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)]

    Vollmer, Christian [Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)]

    Beck, Aaron [Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)]

    Ekanayake, Ruwini Supeshala Kumari [Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)]

    Branson, Jacob A. [Branson, Jacob A.]

    Neill, Thomas [Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)]

    Fellhauer, David [Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)]

    Reitz, Cedric Yves https://orcid.org/0000-0001-8285-0815 [Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)]

    Schild, Dieter https://orcid.org/0000-0001-6034-8146 [Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)]

    Brager, Dominique [Brager, Dominique]

    Cahill, Christoper [Cahill, Christoper]

    Windorff, Cory [Windorff, Cory]

    Sittel, Thomas https://orcid.org/0000-0003-3523-036X [Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)]

    Ramanantoanina, Harry [Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)]

    Haverkort, Maurits W. [Universität Heidelberg (Universität Heidelberg)]

    Vitova, Tonya https://orcid.org/0000-0002-3117-7701 [Institut für Nukleare Entsorgung (INE), Karlsruher Institut für Technologie (KIT)]
    Beitragende:
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    Titel:
    Research Data to publication "Resonant inelastic X-ray scattering tools to count 5f electrons of actinides and probe bond covalency"
    Weitere Titel:
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    Beschreibung:
    (Abstract) The actinides possess a complex electronic structure, making their chemical and physical properties among the least understood in the periodic table. Advanced spectroscopic tools, able to obtain deep insights into the electronic structure and binding properties of the actinides, are highly desirable. Here, we introduce two sensitive spectroscopic tools: one determines the number of localized 5f electrons on an actinide atom, and another assesses the covalent character of actinide-ligand bonding. Both tools are based on the multiplet structure present in actinide M4 edge core-to-core resonant inelastic X-ray scattering (CC-RIXS) maps. The spectral intensity of different many-body final-state multiplets directly depends on the local many-electron ground-state symmetry including the local 5f spin configuration. By comparing U M4 edge CC-RIXS data for 21 U, Np, Pu and Am compounds, we demonstrate the ability to compare the number of localized 5f electrons and bond covalency across the actinide series.
    (Abstract) The actinides possess a complex electronic structure, making their chemical and physical properties among the least understood in the periodic table. Advanced spectroscopic tools, able to obtain deep insights into the electronic structure and binding properties of the actinides, are highly desirable. Here, we introduce two sensitive spectroscopic tools: one determines the number of localized 5f electrons on an actinide atom, and another assesses the covalent character of actinide-ligand bonding. Both tools are based on the multiplet structure present in actinide M4 edge core-to-core resonant inelastic X-ray scattering (CC-RIXS) maps. The spectral intensity of different many-body final-state multiplets directly depends on the local many-electron ground-state symmetry including the local 5f spin configuration. By comparing U M4 edge CC-RIXS data for 21 U, Np, Pu and Am compounds, we demonstrate the ability to compare the number of localized 5f electrons and bond covalency across the actinide series.
    (Technical Remarks) This is the research data to publication "Resonant inelastic X-ray scattering tools to count 5f electrons of actinides and probe bond covalency" in Nature Communications 2024
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    Herausgeber/in:
    Karlsruhe Institute of Technology
    Erstellungsjahr:
    Fachgebiet:
    Engineering
    Objekttyp:
    Dataset
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    Rechteinhaber/in:

    Tagliavini, Michelangelo

    Kaufmann-Heimeshoff, Hanna

    Göttlicher, Jörg

    Mazzanti, Marinella

    Popa, Karin

    Walter, Olaf

    Vollmer, Christian

    Beck, Aaron

    Ekanayake, Ruwini Supeshala Kumari

    Branson, Jacob A.

    Neill, Thomas

    Fellhauer, David

    Brager, Dominique

    Cahill, Christoper

    Windorff, Cory

    Ramanantoanina, Harry

    Haverkort, Maurits W.
    Förderung:
    -
    Status:
    Publiziert
    Eingestellt von:
    kitopen
    Erstellt am:
    Embargo-Zeitraum:
    2025-02-28