Comparison of different methods for structural analysis of lanthanide-induced NMR shifts: A case of lanthanide(III) cryptates

Carlos F G C Geraldes, Shanrong Zhang, C. Platas, T. Rodríguez-Blas, A. De Blas, A. D. Sherry

Research output: Contribution to journalConference articlepeer-review

15 Scopus citations

Abstract

The three main methods available in the literature for lanthanide-induced shift (LIS) structural analysis of a series of lanthanide(III) complexes in solution are applied to the data available for a complete series of paramagnetic lanthanide cryptate complexes of a Schiff base axial macrobicyclic ligand L, [LnL]3+. The macrobicycle contracts its cavity as a result of the lanthanide contraction, while preserving the same overall structure in solution. This causes breaks in the LIS plots for all the three methods used. A combined analysis of the data allows to conclude that those breaks reflect abrupt changes of the crystal field parameter A20〈r2〉 and the hyperfine constants Fi of the lanthanides in the middle of the series, but not of the structure of the complex in solution.

Original languageEnglish (US)
Pages (from-to)824-827
Number of pages4
JournalJournal of Alloys and Compounds
Volume323-324
DOIs
StatePublished - Jul 12 2001
Event4th International Conference on f-Elements - Madrid, Spain
Duration: Sep 17 2000Sep 21 2000

Keywords

  • Cryptate
  • Lanthanide-induced shifts
  • NMR
  • Paramagnetic effects
  • Solution structures

ASJC Scopus subject areas

  • Mechanics of Materials
  • Mechanical Engineering
  • Metals and Alloys
  • Materials Chemistry

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