Exploring the electronic structure and speciation of aqueous and colloidal Pu with high energy resolution XANES and computations

Tonya Vitova; Ivan Pidchenko; David Fellhauer; Tim Pruessmann; Sebastian Bahl; Kathy Dardenne; Tadahiro Yokosawa; Bernd Schimmelpfennig; Marcus Altmaier; Melissa Denecke; Jörg Rothe; Horst Geckeis

doi:10.1039/c8cc06889e

Exploring the electronic structure and speciation of aqueous and colloidal Pu with high energy resolution XANES and computations

Tonya Vitova, Ivan Pidchenko, David Fellhauer, Tim Pruessmann, Sebastian Bahl, Kathy Dardenne, Tadahiro Yokosawa, Bernd Schimmelpfennig, Marcus Altmaier, Melissa Denecke, Jörg Rothe, Horst Geckeis

Dalton Nuclear Institute

Steinbuch Centre for Computing (SCC)

Research output: Contribution to journal › Article › peer-review

Abstract

Pu L3 HR-XANES and FEFF9 computations provide evidence for band-like 6d states in colloidal Pu contrasting to narrow 6d states in molecular Pu(iv). Pu L3 HR-XANES is valuable for bond length estimation in plutonyl, whereas Pu M5 HR-XANES is an advanced tool for analysing Pu redox states and 5f unoccupied density of states.

Original language	English
Pages (from-to)	12824-12827
Number of pages	4
Journal	Chemical communications (Cambridge, England)
Volume	54
Issue number	91
Early online date	29 Oct 2018
DOIs	https://doi.org/10.1039/c8cc06889e
Publication status	Published - 2018

Research Beacons, Institutes and Platforms

Photon Science Institute
Dalton Nuclear Institute

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Vitova, T., Pidchenko, I., Fellhauer, D., Pruessmann, T., Bahl, S., Dardenne, K., Yokosawa, T., Schimmelpfennig, B., Altmaier, M., Denecke, M., Rothe, J., & Geckeis, H. (2018). Exploring the electronic structure and speciation of aqueous and colloidal Pu with high energy resolution XANES and computations. Chemical communications (Cambridge, England), 54(91), 12824-12827. https://doi.org/10.1039/c8cc06889e

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title = "Exploring the electronic structure and speciation of aqueous and colloidal Pu with high energy resolution XANES and computations",

abstract = "Pu L3 HR-XANES and FEFF9 computations provide evidence for band-like 6d states in colloidal Pu contrasting to narrow 6d states in molecular Pu(iv). Pu L3 HR-XANES is valuable for bond length estimation in plutonyl, whereas Pu M5 HR-XANES is an advanced tool for analysing Pu redox states and 5f unoccupied density of states.",

author = "Tonya Vitova and Ivan Pidchenko and David Fellhauer and Tim Pruessmann and Sebastian Bahl and Kathy Dardenne and Tadahiro Yokosawa and Bernd Schimmelpfennig and Marcus Altmaier and Melissa Denecke and J{\"o}rg Rothe and Horst Geckeis",

year = "2018",

doi = "10.1039/c8cc06889e",

language = "English",

volume = "54",

pages = "12824--12827",

journal = "Chemical communications (Cambridge, England)",

issn = "1359-7345",

publisher = "Royal Society of Chemistry",

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Vitova, T, Pidchenko, I, Fellhauer, D, Pruessmann, T, Bahl, S, Dardenne, K, Yokosawa, T, Schimmelpfennig, B, Altmaier, M, Denecke, M, Rothe, J & Geckeis, H 2018, 'Exploring the electronic structure and speciation of aqueous and colloidal Pu with high energy resolution XANES and computations', Chemical communications (Cambridge, England), vol. 54, no. 91, pp. 12824-12827. https://doi.org/10.1039/c8cc06889e

TY - JOUR

T1 - Exploring the electronic structure and speciation of aqueous and colloidal Pu with high energy resolution XANES and computations

AU - Vitova, Tonya

AU - Pidchenko, Ivan

AU - Fellhauer, David

AU - Pruessmann, Tim

AU - Bahl, Sebastian

AU - Dardenne, Kathy

AU - Yokosawa, Tadahiro

AU - Schimmelpfennig, Bernd

AU - Altmaier, Marcus

AU - Denecke, Melissa

AU - Rothe, Jörg

AU - Geckeis, Horst

PY - 2018

Y1 - 2018

N2 - Pu L3 HR-XANES and FEFF9 computations provide evidence for band-like 6d states in colloidal Pu contrasting to narrow 6d states in molecular Pu(iv). Pu L3 HR-XANES is valuable for bond length estimation in plutonyl, whereas Pu M5 HR-XANES is an advanced tool for analysing Pu redox states and 5f unoccupied density of states.

AB - Pu L3 HR-XANES and FEFF9 computations provide evidence for band-like 6d states in colloidal Pu contrasting to narrow 6d states in molecular Pu(iv). Pu L3 HR-XANES is valuable for bond length estimation in plutonyl, whereas Pu M5 HR-XANES is an advanced tool for analysing Pu redox states and 5f unoccupied density of states.

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U2 - 10.1039/c8cc06889e

DO - 10.1039/c8cc06889e

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EP - 12827

JO - Chemical communications (Cambridge, England)

JF - Chemical communications (Cambridge, England)

IS - 91

ER -

Exploring the electronic structure and speciation of aqueous and colloidal Pu with high energy resolution XANES and computations

Abstract

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