Evaluation of the dipolar contribution to lanthanide shift reagent induced isotropic shifts

Peter C.M. Van Zijl, Ronald P. Van Wezel, C. MacLean, Aksel A. Bothner-By

Research output: Contribution to journalReview article

Abstract

A method is outlined to determine the dipolar contribution to the isotropic chemical shift for substrates attached to a lanthanide shift reagent. The procedure is illustrated for Ln(dpm)3(py)2 complexes, with Ln = Ho, Tb. The difference between the calculated dipolar contribution to the shift and the experimental shift is about 10%. The discrepancy can be accounted for by small nondipolar shift contributions and/or assumptions concerning the molecular structure.

Original languageEnglish (US)
Pages (from-to)204-207
Number of pages4
JournalJournal of Physical Chemistry
Volume89
Issue number2
DOIs
StatePublished - Jan 1 1985

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ASJC Scopus subject areas

  • Engineering(all)
  • Physical and Theoretical Chemistry

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