Insight of the Metal-Ligand Interaction in f-Element Complexes by Paramagnetic NMR Spectroscopy

Chemistry : a European Journal
Matthieu AutilloClaude Berthon

Abstract

The magnetic properties of LnIII and AnIII complexes formed with dipicolinate ligands have been studied by NMR spectroscopy. To know precisely the geometries of these complexes, a crystallographic study by single-crystal X-ray diffraction (XRD) and extended X-ray absorption fine structure (EXAFS) in solution was performed. Several methods to separate the paramagnetic shifts observed in the NMR spectra were applied to these complexes. Methods using a number of nuclei of the dipicolinate ligands revealed an abrupt change in the geometries of the complexes and a metal-ligand interaction in the middle of the lanthanide series. A study of the variation of the paramagnetic shifts with temperature demonstrated that higher-order terms of the dipolar and contact contributions are required, especially for the lightest LnIII and almost all the studied AnIII . Bleaney's parameters <Sz >a and C a D relating to the contact and dipolar terms, respectively, were deduced from experimental data and compared with the results of ab initio calculations. Quite a good agreement was found for the temperature dependencies of <Sz >a and C a D . However, the C a D values obtained from cation magnetic anisotropy calculations showed some discre...Continue Reading

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Citations

May 23, 2019·Dalton Transactions : an International Journal of Inorganic Chemistry·Elizaveta A SuturinaDavid Parker
Jun 20, 2020·Physical Chemistry Chemical Physics : PCCP·Matthieu AutilloHélène Bolvin
Aug 25, 2020·Acta Crystallographica Section B, Structural Science, Crystal Engineering and Materials·Rafał Janicki, Przemysław Starynowicz
Sep 10, 2019·Chemistry : a European Journal·Julie JungHélène Bolvin
May 1, 2021·Dalton Transactions : an International Journal of Inorganic Chemistry·Bahman GolesorkhiClaude Piguet

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