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Your search keyword '"Tamain, Christelle"' showing total 12 results
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12 results on '"Tamain, Christelle"'

1. Chronicles of plutonium peroxides: spectroscopic characterization of a new peroxo compound of Pu(IV).

Author

Margate, Julien, Bayle, Simon, Dumas, Thomas, Dalodiεave;re, Elodie, Tamain, Christelle, Menut, Denis, Estevenon, Paul, Moisy, Philippe, Nikitenko, Sergey I., and Virot, Matthieu

Subjects
PLUTONIUM oxides, PLUTONIUM, NUCLEAR chemistry, PEROXIDES, HYDROGEN peroxide
Abstract

Although hydrogen peroxide (H2O2) has been highly used in nuclear chemistry for more than 75 years, the preparation and literature description of tetravalent actinide peroxides remain surprisingly scarce. A new insight is given in this topic through the synthesis and thorough structural characterization of a new peroxo compound of Pu(IV). [ABSTRACT FROM AUTHOR]

Published
2024
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3. From Molecular Oxo-Hydroxo Ce Clusters to Crystalline CeO2

Author

Estevenon, Paul, primary, Amidani, Lucia, additional, Bauters, Stephen, additional, Tamain, Christelle, additional, Bodensteiner, Michael, additional, Meurer, Florian, additional, Hennig, Christoph, additional, Vaughan, Gavin, additional, Dumas, Thomas, additional, and Kvashnina, Kristina O., additional

Published
2023
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11. Dipolar and Contact Paramagnetic NMR Chemical Shifts in AnIVComplexes with Dipicolinic Acid Derivatives

Author

Islam, Md. Ashraful, Autillo, Matthieu, Guérin, Laetitia, Tamain, Christelle, Moisy, Philippe, Bolvin, Hélène, and Berthon, Claude

Abstract

Actinide +IV complexes (AnIV= ThIV, UIV, NpIV, and PuIV) with two dipicolinic acid derivatives (DPA and Et-DPA) have been studied by 1H and 13C NMR spectroscopies and first-principles calculations. The Fermi contact and dipolar contributions to the actinide-induced shifts (AIS) are evaluated from a temperature dependence analysis, combined with ab initioresults. It allows an experimental estimation of the axial anisotropy of the magnetic susceptibility Δχaxand of the hyperfine coupling constants of the NMR-active nuclei. Due to the compactness of the coordination sphere, the magnetic anisotropy of the paramagnetic center is small, and this makes the contact contribution to be the dominant one, even on the remote atoms. The sign of the hyperfine coupling constants and related spin densities is alternating on the nuclei of the ligand cycle, denoting a preponderant spin polarization mechanism. This is well reproduced by unrestricted density functional theory (DFT) calculations. Those values are furthermore slightly decreasing in the actinide series, which indicates a small decrease of the covalency from UIVto PuIV.

Published
2022
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12. Dipolar and Contact Paramagnetic NMR Chemical Shifts in An IV Complexes with Dipicolinic Acid Derivatives.

Author

Islam MA, Autillo M, Guérin L, Tamain C, Moisy P, Bolvin H, and Berthon C

Abstract

Actinide +IV complexes (An IV = Th IV , U IV , Np IV , and Pu IV ) with two dipicolinic acid derivatives (DPA and Et-DPA) have been studied by 1 H and 13 C NMR spectroscopies and first-principles calculations. The Fermi contact and dipolar contributions to the actinide-induced shifts (AIS) are evaluated from a temperature dependence analysis, combined with ab initio results. It allows an experimental estimation of the axial anisotropy of the magnetic susceptibility Δχ ax and of the hyperfine coupling constants of the NMR-active nuclei. Due to the compactness of the coordination sphere, the magnetic anisotropy of the paramagnetic center is small, and this makes the contact contribution to be the dominant one, even on the remote atoms. The sign of the hyperfine coupling constants and related spin densities is alternating on the nuclei of the ligand cycle, denoting a preponderant spin polarization mechanism. This is well reproduced by unrestricted density functional theory (DFT) calculations. Those values are furthermore slightly decreasing in the actinide series, which indicates a small decrease of the covalency from U IV to Pu IV .

Published
2022
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