Contact vs. Pseudocontact Contributions to Lanthanide-Induced Shifts in the Nuclear Magnetic Resonance Spectra of Isoquinoline and of endo-Norbornenol

Otto A. Gansow; Paul A. Loeffler; Raymond E. Davis; Robert E. Lenkinski; M. Robert Willcott

doi:10.1021/ja00430a041

Contact vs. Pseudocontact Contributions to Lanthanide-Induced Shifts in the Nuclear Magnetic Resonance Spectra of Isoquinoline and of endo-Norbornenol

Otto A. Gansow, Paul A. Loeffler, Raymond E. Davis, Robert E. Lenkinski, M. Robert Willcott

Research output: Contribution to journal › Article › peer-review

34 Scopus citations

Abstract

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.

Original language	English (US)
Pages (from-to)	4250-4258
Number of pages	9
Journal	Journal of the American Chemical Society
Volume	98
Issue number	14
DOIs	https://doi.org/10.1021/ja00430a041
State	Published - Jul 1 1976

ASJC Scopus subject areas

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

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Contact vs. Pseudocontact Contributions to Lanthanide-Induced Shifts in the Nuclear Magnetic Resonance Spectra of Isoquinoline and of endo-Norbornenol. / Gansow, Otto A.; Loeffler, Paul A.; Davis, Raymond E. et al.
In: Journal of the American Chemical Society, Vol. 98, No. 14, 01.07.1976, p. 4250-4258.

Research output: Contribution to journal › Article › peer-review

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abstract = "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.",

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AU - Lenkinski, Robert E.

AU - Robert Willcott, M.

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AB - 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.

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Contact vs. Pseudocontact Contributions to Lanthanide-Induced Shifts in the Nuclear Magnetic Resonance Spectra of Isoquinoline and of endo-Norbornenol

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