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Chemische Verschiebungen in der kernmagnetischen Resonanz von 17 O in organischen Verbindungen
Author(s) -
Christ H. A.,
Diehl P.,
Schneider Hr.,
Dahn H.
Publication year - 1961
Publication title -
helvetica chimica acta
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.74
H-Index - 82
eISSN - 1522-2675
pISSN - 0018-019X
DOI - 10.1002/hlca.19610440331
Subject(s) - chemistry , chemical shift , resonance (particle physics) , heteroatom , oxygen , oxygen atom , kinetic isotope effect , medicinal chemistry , crystallography , stereochemistry , photochemistry , molecule , organic chemistry , ring (chemistry) , deuterium , physics , particle physics , quantum mechanics
Measurements of 17 O‐NMR‐chemical shifts (relative to H 2 O) have been carried out in a variety of 125 compounds of which 115 are organic.1 The resonance of singly bonded oxygen is shifted to low field by all substituents except CH 3 . The effects of atoms directly bonded to oxygen increases in the order H, C, S, Cl < N < O. Double bonds OCX (X C, 0) give rise to considerable shifts, whereas groups bonded to C affect the resonance only slightly. 2 In carbonyl groups the resonance of doubly bonded oxygen is shifted to high field (relative to acetaldehyde) by all substituents. The effect of heteroatoms bonded to C decreases in the order N > O > F > Cl > Br. Conjugation does not affect the shifts. The chemical shifts of the carbonyl group are sensitive to solvents. 3 An isotope effect on the chemical shift has been detected in water (H 3 17 O/D 2 17 O).