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Lanthanides: Shift Reagents

  1. Carlos F.G.C. Geraldes

Published Online: 17 DEC 2012

DOI: 10.1002/9781119951438.eibc2050

Encyclopedia of Inorganic and Bioinorganic Chemistry

Encyclopedia of Inorganic and Bioinorganic Chemistry

How to Cite

Geraldes, C. F. 2012. Lanthanides: Shift Reagents. Encyclopedia of Inorganic and Bioinorganic Chemistry. .

Author Information

  1. University of Coimbra, Coimbra, Portugal

Publication History

  1. Published Online: 17 DEC 2012


The presence of paramagnetic metal centers causes enhanced shift and relaxation effects on the resonances of NMR-active nuclei of ligand molecules. In this chapter, we describe the basic theory and main applications of paramagnetic NMR shift effects of Ln3+ ions as structural reporters of small flexible ligands and paramagnetic complexes and their supramolecular constructs. Their applications on the structure and dynamics of proteins are also discussed, with particular emphasis on the aspects relevant to the development of Gd3+-based MRI contrast agents and powerful NMR shift reagents for in vivo MRS of alkali ions (e.g., 23Na+, 7Li+).


  • lanthanide complexes;
  • NMR shift reagents;
  • dipolar shifts;
  • contact shifts;
  • ligand conformation;
  • linear complexes;
  • macrocyclic complexes;
  • supramolecular complexes;
  • protein NMR structural probes;
  • protein surface probes;
  • protein-protein interactions;
  • metal ion distribution in biosystems