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

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

Research output: Contribution to journalArticle

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
StatePublished - 1985
Externally publishedYes

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Lanthanoid Series Elements
Chemical shift
Rare earth elements
Molecular structure
reagents
evaluation
shift
Substrates
chemical equilibrium
molecular structure

ASJC Scopus subject areas

  • Physical and Theoretical Chemistry

Cite this

Evaluation of the dipolar contribution to lanthanide shift reagent induced isotropic shifts. / Van Zijl, Peter C; Van Wezel, Ronald P.; MacLean, C.; Bothner-By, Aksel A.

In: Journal of Physical Chemistry, Vol. 89, No. 2, 1985, p. 204-207.

Research output: Contribution to journalArticle

Van Zijl, Peter C ; Van Wezel, Ronald P. ; MacLean, C. ; Bothner-By, Aksel A. / Evaluation of the dipolar contribution to lanthanide shift reagent induced isotropic shifts. In: Journal of Physical Chemistry. 1985 ; Vol. 89, No. 2. pp. 204-207.
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