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Rotational Dynamics by NMR to Probe Solvation of 2‐Pyridone in Hydroxylic Solvents
Author(s) -
Tiffon Bernard,
Guillerez Jean,
Ancian Bernard
Publication year - 1985
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.1260230611
Subject(s) - chemistry , solvation , methanol , solvent , toluene , molecule , quadrupole , relaxation (psychology) , rotational diffusion , chemical shift , rotational dynamics , deuterium nmr , aqueous solution , molecular dynamics , solvent effects , nuclear magnetic resonance spectroscopy , hydrogen bond , computational chemistry , organic chemistry , atomic physics , psychology , social psychology , physics
Abstract The dynamics of the molecular rotation of 2(1 H )‐pyridone and 1‐methyl‐2(1 H )‐pyridone in toluene, carbon tetrachloride, methanol and water have been investigated at 305 K by 13 C and 2 H NMR. Both chemical shifts and relaxation times show that 2‐pyridonc forms stable hydrogen‐bonded complexes in methanol and in water, reorienting as a complete unit and taking with it two solvent molecules. These solvated species are stable within the liquid‐state temperature range, and reorient according to the hydrodynamic law as indicated by the 14 N line width measurements. It follows that the lifetimes of these complexes are always greater by at least an order of magnitude than the rotational correlation time scale. Analysis of the 14 N quadrupole coupling constants and the rotational anisotropy support the structure and stability of these complexes.