ACTINIDE BOND properties in gas, liquid and solid state

Project Information

THE ACTINIDE BOND

Grant agreement ID: 101003292

DOI

10.3030/101003292

EC signature date 27 January 2021

Start date 1 February 2021

End date 31 January 2027

Funded under

• EXCELLENT SCIENCE - European Research Council (ERC)

Total cost

€ 1 999 915,00

EU contribution

€ 1 999 915,00

Coordinated by

KARLSRUHER INSTITUT FUER TECHNOLOGIE
Germany

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Links to deliverables and publications from FP7 projects, as well as links to some specific result types such as dataset and software, are dynamically retrieved from OpenAIRE .

Publications

Peer reviewed articles (19)

Implementation of cryogenic tender X-ray HR-XANES spectroscopy at the ACT station of the CAT-ACT beamline at the KIT Light Source

Author(s): Bianca Schacherl, Tim Prüssmann, Kathy Dardenne, Kirsten Hardock, Volker Krepper, Jörg Rothe, Tonya Vitova, Horst Geckeis
Published in: Journal of Synchrotron Radiation, Issue 29, 2022, Page(s) 80-88, ISSN 0909-0495
Publisher: Blackwell Publishing Inc.
DOI: 10.1107/s1600577521012650

Synthesis, Characterization, and Stability of Two Americium Vanadates, AmVO₃ and AmVO₄

Author(s): Jean-François Vigier; Thierry Wiss; Natalia Palina; Tonya Vitova; Jean-Yves Colle; Daniel Bouëxière; Daniel Freis; Rudy J. M. Konings; Karin Popa
Published in: Inorganic Chemistry, Issue 5, 2023, ISSN 0020-1669
Publisher: American Chemical Society
DOI: 10.1021/acs.inorgchem.3c00251

Actinyl Electronic Structure Probed by XAS: The Role of Many-Body Effects

Author(s): Paul S. Bagus, Connie J. Nelin, Bianca Schacherl, Tonya Vitova
Published in: Inorganic Chemistry, Issue 63, 2024, Page(s) 13202-13213, ISSN 0020-1669
Publisher: American Chemical Society
DOI: 10.1021/acs.inorgchem.4c00270

Interlink between solubility, structure, surface and thermodynamics in the ThO$_2$(s, hyd)–H$_2$O(l) system

Author(s): Kiefer, Christian; Neill, Thomas; Cevirim-Papaioannou, Nese; Schild, Dieter; Gaona, Xavier; Vitova, Tonya; Dardenne, Kathy; Rothe, Jörg; Altmaier, Marcus; Geckeis, Horst
Published in: Frontiers in Chemistry, Issue 1, 2022, ISSN 2296-2646
Publisher: Frontiers
DOI: 10.5445/ir/1000153768

Unveiling Hidden Shake-Up Features in the Uranyl M₄-Edge Spectrum

Author(s): Jordan N. Ehrman, Kirill Shumilov, Andrew J. Jenkins, Joseph M. Kasper, Tonya Vitova, Enrique R. Batista, Ping Yang, Xiaosong Li
Published in: JACS Au, Issue 4, 2025, Page(s) 1134-1141, ISSN 2691-3704
Publisher: ACS
DOI: 10.1021/jacsau.3c00838

The Role of Halides in the Bonding and Electronic Structure of Actinyl(VI) Halides─Energy Match Driven Stability

Author(s): Thomas S. Neill, Harry Ramanantoanina, Natalia Palina, Tim Prüßmann, Jörg Rothe, Xavier Gaona, David Fellhauer, Dieter Schild, Constantin Wansorra, Dirk Hauschild, Ralph Steininger, Bianca Schacherl, Clemens Heske, Lothar Weinhardt, Olaf Walter, Florian Weigend, Tonya Vitova
Published in: Journal of the American Chemical Society, Issue 147, 2025, Page(s) 35401-35412, ISSN 0002-7863
Publisher: American Chemical Society
DOI: 10.1021/jacs.5c08999

Synthesis and characterization of homogeneous (U,Am)O2 and (U,Pu,Am)O2 nanopowders

Author(s): J.-F. Vigier, D. Freis, O. Walter, O. Dieste Blanco, D. Bouëxière, E. Zuleger, N. Palina, T. Vitova, R. J. M. Konings, K. Popa
Published in: CrystEngComm, Issue 24, 2022, Page(s) 6338-6348, ISSN 1473-7604
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2ce00527a

Unveiling Hidden Shake-Up Features in the Uranyl M4‑Edge Spectrum

Author(s): J. N. Ehrman, K. Shumilov, A. J. Jenkins, J. M. Kasper, T. Vitova, E. R. Batista, P. Yang, X. Li
Published in: JACS Au, 2024, ISSN 2691-3704
Publisher: ACS
DOI: 10.1021/jacsau.3c00838?ref=pdf

The mechanism of Fe induced bond stability of uranyl(v)

Author(s): Tonya Vitova, Radmila Faizova, Jorge I Amaro Estrada, Laurent Maron, Tim Prüßmann, Thomas Neill, Aaron Beck, Bianca Schacherl, Farzaneh Fadaei Tirani, Marinella Mazzanti
Published in: Chemical Science, Issue 13, 2022, Page(s) 11038-11047, ISSN 2041-6539
Publisher: Royal Society of Chemistry
DOI: 10.1039/d2sc03416f

Structural and physical investigation of ordered BaO-deficient Ba3PuO6

Author(s): Andries van Hattem, Karin Popa, Gilles Wallez, Jacobus Boshoven, Eric Colineau, Eckhard Dahms, Jean-Christophe Griveau, Herwin Hein, Olaf Walter, Bianca Schacherl, Tonya Vitova, Kathy Dardenne, Tim Pruessmann, Jörg Rothe, Anna L. Smith, Rudy J. M. Konings
Published in: Communications Chemistry, Issue 8, 2025, ISSN 2399-3669
Publisher: Springer Science and Business Media LLC
DOI: 10.1038/s42004-025-01669-x

Np(V) Retention at the Illite du Puy Surface

Author(s): Bianca Schacherl; Claudia Joseph; Aaron Beck; Polina Lavrova; Andreas Schnurr; Kathy Dardenne; Frank Geyer; Zara Cherkezova-Zheleva; Jörg Göttlicher; Horst Geckeis; Tonya Vitova
Published in: Environmental Science and Technology, 57 (30), 11185–11194, Issue 6, 2023, ISSN 0013-936X
Publisher: American Chemical Society
DOI: 10.1021/acs.est.2c09356

Resonant inelastic X-ray scattering tools to count 5 f electrons of actinides and probe bond covalency

Author(s): Bianca Schacherl, Michelangelo Tagliavini, Hanna Kaufmann-Heimeshoff, Jörg Göttlicher, Marinella Mazzanti, Karin Popa, Olaf Walter, Tim Pruessmann, Christian Vollmer, Aaron Beck, Ruwini S. K. Ekanayake, Jacob A. Branson, Thomas Neill, David Fellhauer, Cedric Reitz, Dieter Schild, Dominique Brager, Christopher Cahill, Cory Windorff, Thomas Sittel, Harry Ramanantoanina, Maurits W. Haverkort, Tonya
Published in: Nature Communications, Issue 16, 2025, ISSN 2041-1723
Publisher: Nature Publishing Group
DOI: 10.1038/s41467-024-54574-7

Relativistic Multiconfigurational Ab Initio Calculation of Uranyl 3d4f Resonant Inelastic X-ray Scattering.

Author(s): Robert Polly; Bianca Schacherl; Jörg Rothe; Tonya Vitova
Published in: Inorganic Chemistry, Issue 60, 24, 2021, Page(s) 18764–18776, ISSN 0020-1669
Publisher: American Chemical Society
DOI: 10.1021/acs.inorgchem.1c02364

Bonding and Interactions in UO₂²⁺ for Ground and Core Excited States: Extracting Chemistry from Molecular Orbital Calculations

Author(s): Paul S. Bagus, Connie J. Nelin, Bianca Schacherl, Tonya Vitova, Robert Polly
Published in: The Journal of Physical Chemistry A, Issue 128, 2024, Page(s) 8024-8034, ISSN 1089-5639
Publisher: American Chemical Society
DOI: 10.1021/acs.jpca.4c03555

Origins of NpO22+ XAS features: Hydrated compared to isolated NpO22+

Author(s): Paul S. Bagus, Connie J. Nelin, Michael Trumm, Bianca Schacherl, Tonya Vitova
Published in: The Journal of Chemical Physics, Issue 162, 2025, ISSN 0021-9606
Publisher: American Institute of Physics
DOI: 10.1063/5.0263322

Computational and Spectroscopic Tools for the Detection of Bond Covalency in Pu(IV) Materials.

Author(s): Paul S. Bagus; Bianca Schacherl; Tonya Vitova
Published in: Inorganic chemistry, Issue 00201669, 2021, Page(s) 16090–16102, ISSN 0020-1669
Publisher: American Chemical Society
DOI: 10.1021/acs.inorgchem.1c01331

Actinide 5f Occupations: The Case of PuO₂

Author(s): Ashima Bajaj, Harry Ramanantoanina, Bianca Schacherl, Sven Schenk, Tim Pruessmann, Agost Tasi, David Fellhauer, Alaina Humiston, Jeff Terry, Xiaoyu Wang, Eva Zurek, Tonya Vitova, Paul S. Bagus, Jochen Autschbach
Published in: Inorganic Chemistry, Issue 64, 2025, Page(s) 12297-12312, ISSN 0020-1669
Publisher: American Chemical Society
DOI: 10.1021/acs.inorgchem.5c01709

Electronic Structure of Actinyls: Orbital Properties

Author(s): Paul S. Bagus; Connie J. Nelin; Kevin M. Rosso; Bianca Schacherl; Tonya Vitova
Published in: Ínorganic Chemistry, Issue 1, 2024, ISSN 0020-1669
Publisher: American Chemical Society
DOI: 10.1021/acs.inorgchem.3c03158

U(V) Stabilization via Aliovalent Incorporation of Ln(III) into Oxo‐salt Framework

Author(s): Yi Yu, Yucheng Hao, Bin Xiao, Eike Langer, Sergei A. Novikov, Harry Ramanantoanina, Ivan Pidchenko, Dieter Schild, Thomas E. Albrecht‐Schoenzart, Rüdiger‐A. Eichel, Tonya Vitova, Evgeny V. Alekseev
Published in: Chemistry – A European Journal, Issue 30, 2024, ISSN 0947-6539
Publisher: John Wiley & Sons Ltd.
DOI: 10.1002/chem.202401033