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Résonance Magnétique Nucléaire de 17 O. Aldéhydes et cétones aliphatiques: additivité des effets de substitution et corrélation avec la 13 C‐RMN
Author(s) -
Delseth Claude,
Kintzinger JeanPierre
Publication year - 1976
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.19760590213
Subject(s) - chemistry , substituent , chemical shift , additive function , methylene , nmr spectra database , alicyclic compound , stereochemistry , medicinal chemistry , spectral line , crystallography , organic chemistry , mathematical analysis , physics , mathematics , astronomy
17 O‐NMR. Aliphatic aldehydes and ketones, additivity of substituent effects and correlation with 13 C‐NMR. The 17 O‐chemical shifts of 9 aldehydes, 22 aliphatic and 4 alicyclic ketones, in the natural abundance FT.‐NMR. spectra followed a good correlation with the 13 C‐chemical shifts of the terminal C‐atoms of corresponding methylene compounds. An additivity relation involving 6 parameters represents the 17 O‐shifts of 28 of the measured products with a standard deviation of 2.5 ppm. The additivity parameters are discussed with respect to the modifications of the polarity of the carbonyl group induced by the hyperconjugative interaction of π and π* orbitals with the π CH 3 orbitals of the alkyl substituent groups.