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 journalArticle

32 Citations (Scopus)

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 languageEnglish (US)
Pages (from-to)4250-4258
Number of pages9
JournalJournal of the American Chemical Society
Volume98
Issue number14
StatePublished - 1976

Fingerprint

Lanthanoid Series Elements
Rare earth elements
Magnetic Resonance Spectroscopy
Nuclear magnetic resonance
Magnetic resonance
isoquinoline

ASJC Scopus subject areas

  • Chemistry(all)

Cite this

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.; Lenkinski, Robert E.; Robert Willcott, M.

In: Journal of the American Chemical Society, Vol. 98, No. 14, 1976, p. 4250-4258.

Research output: Contribution to journalArticle

@article{533b189d17e04ba4850e0513cf8f9530,
title = "Contact vs. pseudocontact contributions to lanthanide-induced shifts in the nuclear magnetic resonance spectra of isoquinoline and of endo-norbornenol",
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.",
author = "Gansow, {Otto A.} and Loeffler, {Paul A.} and Davis, {Raymond E.} and Lenkinski, {Robert E.} and {Robert Willcott}, M.",
year = "1976",
language = "English (US)",
volume = "98",
pages = "4250--4258",
journal = "Journal of the American Chemical Society",
issn = "0002-7863",
publisher = "American Chemical Society",
number = "14",

}

TY - JOUR

T1 - Contact vs. pseudocontact contributions to lanthanide-induced shifts in the nuclear magnetic resonance spectra of isoquinoline and of endo-norbornenol

AU - Gansow, Otto A.

AU - Loeffler, Paul A.

AU - Davis, Raymond E.

AU - Lenkinski, Robert E.

AU - Robert Willcott, M.

PY - 1976

Y1 - 1976

N2 - 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.

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.

UR - http://www.scopus.com/inward/record.url?scp=0040784614&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0040784614&partnerID=8YFLogxK

M3 - Article

VL - 98

SP - 4250

EP - 4258

JO - Journal of the American Chemical Society

JF - Journal of the American Chemical Society

SN - 0002-7863

IS - 14

ER -