The differences between calculated and observed behavior of lanthanide shift reagents vs. isoquinoline and endo-norbornenol have been recorded. These differences are interpreted as contact shifts. The magnitudes of the shifts are compared with several independent theoretical and experimental determinations of contact/pseudocontact ratios. Contact shifts are evident in the 13C magnetic resonances of the hard base isoquinoline and the softer base norbornenol. Of the eight lanthanides studied Yb(dpm)3 was found to be the most effective for determining pseudocontact indexes.
ASJC Scopus subject areas
- Colloid and Surface Chemistry