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Hydrogen Bonding Effects on Electron Population and 13C Chemical Shift of Base: Alcohol Pyridine Complexes
Authors:G. Goethals  M. C. Moreau-descoings  C. Sarazin  J. P. Seguin  J. P. Doucet
Affiliation:1. Laboratoire de Génie Cellulaire UFR des Sciences - Université de Picardie , 33 rue Saint-Leu, 80039, Amiens Cédex, France;2. ITODYS , 1 rue Guy de la Brosse, 75005, Paris, France
Abstract:The carbon chemical shifts of pyridine associated to various aliphatic and aromatic alcohols are measured. Actual effects of hydrogen bonding formation on 13c shifts, have been characterized by evaluating in first, anisotropy and non specific medium effects. Linear relationships are obtained between 13C shifts and the IR frequency shifts. Positive slopes are observed for C-β and C-γ in agreement with the electron population change, but a reverse slope results for C-α carbon.
Keywords:13C NMR  Hydrogen bond  CNDO/2 calculations  pyridine
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