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Conformational study of pyridiniumacetanilide salts by 1 H NMR spectroscopy
Author(s) -
Kovács Zsuzsanna H.,
Sohår Pál
Publication year - 1986
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.1260241011
Subject(s) - chemistry , conformational isomerism , substituent , amide , nuclear magnetic resonance spectroscopy , crystallography , aryl , coalescence (physics) , carbon 13 nmr satellite , nmr spectra database , spectroscopy , stereochemistry , spectral line , fluorine 19 nmr , molecule , alkyl , organic chemistry , physics , quantum mechanics , astronomy , astrobiology
The temperature dependence of the 1 H NMR spectra of some new pyridiniumacetanilide salts was investigated. In these compounds, hindered rotation around the amide NCO bond gives rise to two rotamers with unequal populations. The values of the free energy of activation (Δ G ≠) were determined by the coalescence method. Correlation was observed between the values of Δ G ≠, the equilibrium rotamer populations and the character of the substituent attached to the amide nitrogen. In some derivatives another conformational motion was detected, and interpreted in terms of slow rotation around the NC aryl bond.
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