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13 C NMR investigations of phenol–triethylamine complexes: The influence of hydrogen bond interaction on the electronic structure of phenols
Author(s) -
Ilczyszyn Marek,
Latajka Zdzisław,
Ratajczak Henryk
Publication year - 1981
Publication title -
organic magnetic resonance
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.483
H-Index - 72
eISSN - 1097-458X
pISSN - 0030-4921
DOI - 10.1002/mrc.1270160302
Subject(s) - cndo/2 , chemistry , phenols , triethylamine , phenol , hydrogen bond , computational chemistry , carbon 13 nmr , hydrogen , organic chemistry , molecule
The influence of hydrogen bond formation on the screening at the C‐1 carbon of phenols is investigated, both experimentally and theoretically. Qualitatively good agreement between experimental and predicted data, obtained by means of calculations based on the CNDO/2 method and the Karplus–Pople theory, is observed. The main factors determining the chemical shift changes in the series of complexes are discussed.