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 | Zendy

Liepiņš E. | Zendy; Petrova M. V. | Zendy; Gudriniece E. | Zendy; Pauliņš J. | Zendy; Kuznetsov S. L. | Zendy

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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

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.

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