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Relationships between 1 H, 13 C and 17 O NMR chemical shifts and H/D isotope effects on 13 C and 17 O nuclear shielding in intramolecular hydrogen‐bonded systems
Author(s) -
Liepiņš E.,
Petrova M. V.,
Gudriniece E.,
Pauliņš J.,
Kuznetsov S. L.
Publication year - 1989
Publication title -
magnetic resonance in chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0749-1581
DOI - 10.1002/mrc.1260271002
Subject(s) - chemistry , chemical shift , kinetic isotope effect , intramolecular force , isotope , proton , deuterium , carbon 13 , ring (chemistry) , crystallography , analytical chemistry (journal) , stereochemistry , atomic physics , nuclear physics , organic chemistry , physics
Abstract The intramolecular Hbond strength in cis ‐enolic forms of β‐diketones was investigated. The correlations between the 1 H hydroxyl proton shieldings and the chemical shifts of the 13 C and 17 O nuclei involved in the chelate ring, and the H/D isotope shifts on the latter resonances, were determined. An increase in the hydrogen bond strength leads to increasing values of H/D isotopic shifts on the 17 O resonances. The results obtained are compared with quantum chemical calculations and x‐ray measurements.