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Article Dans Une Revue Inorganic Chemistry Année : 2023

Are actinyl cations good probes for structure determination in solution by NMR?

Résumé

We report on NMR spectroscopy, CAS based method calculations and X-ray diffraction on An$^V$ and An$^{VI}$ complexes with a neutral and slightly flexible TEDGA ligand. After checking that pNMR shifts mainly arise from pseudo-contact interactions, pNMR shifts have been analyzed considering axial and rhombic anisotropy of the actinyl magnetic susceptibilities. Results are compared to a previous study performed on [An $^{VI}$O$_2$]$^{2+}$ complexes with dipicolinic acid (DPA). It is shown that 5f$^2$ cations (Pu$^{VI}$ and Np$^V$) make very good candidates to obtain the structure of actinyl complexes in solution by $^1$H NMR spectroscopy as shown by the invariance of the magnetic properties to the equatorial ligands, conversely to the Np$^{VI}$ complexes with a 5f$^1$ configuration.
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Dates et versions

cea-04146130 , version 1 (29-06-2023)

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Md. Ashraful Islam, Matthieu Autillo, Clovis Poulin-Ponnelle, Christelle Tamain, Hélène Bolvin, et al.. Are actinyl cations good probes for structure determination in solution by NMR?. Inorganic Chemistry, 2023, 62 (23), pp.10916-10927. ⟨10.1021/acs.inorgchem.3c00536⟩. ⟨cea-04146130⟩
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