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Structure elucidation with lanthanide induced shifts. 6—solvent effects on bound shifts and association constants

✍ Scribed by Douglas J. Raber; Milton D. Johnston Jr; Christopher M. Janks; Joseph W. Perry; George F. Jackson III

Publisher
John Wiley and Sons
Year
1980
Tongue
English
Weight
563 KB
Volume
14
Category
Article
ISSN
0749-1581

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✦ Synopsis

Abstract

The NMR spectra of acetone, adamantanone and 1‐adamantanecarbonitrile have been studied in the presence of Eu(fod)~3~ in various solvents. A substantial solvent dependence is found for the association constants between shift reagent and substrate. The magnitude of the association constants is correlated with solvent polarity, and a tenfold decrease in K~1~ is observed upon changing from carbon tetrachloride to the more polar dichloromethane. Only a very small solvent dependence is observed for the bound shifts. The relative bound shifts (and therefore the structures of the LS complexes) are found to be solvent independent. The small solvent dependence of the absolute magnitude of the bound shifts for the LS complexes is suggested to result from experimental errors.

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Structure elucidation with lanthanide-in
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✍ Douglas J. Raber; Milton D. Johnston Jr; Catherine M. Campbell; Christopher M. J 📂 Article 📅 1978 🏛 John Wiley and Sons 🌐 English ⚖ 649 KB

## Abstract The use of lanthanide shift reagents (LSR's) to obtain additional structural information from nuclear magnetic resonance studies has gained widespread acceptance. However, there has not been general agreement with regard to the most appropriate methodology for analysis of the shifted NM

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Structure elucidation with lanthanide-induced shifts. 13—A critical evaluation of methods for obtaining bound shifts and association constants
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## Abstract The use of lanthanide‐induced shifts for rigorous structure analysis requires accurate values corresponding to only one of the complexes that can be formed. A combination of computational and experimental studies have been carried out to evaluate several commonly used procedures for obt