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Int. J. Mol. Sci. 2005, 6(1), 11-17; doi:10.3390/i6010011
Article

Substituent Effects in the 13C-NMR Spectra of Six-Membered Nitrogen Heteroaromatic Compounds

Received: 15 June 2004 / Revised: 25 January 2005 / Accepted: 26 January 2005 / Published: 31 January 2005
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Abstract

It is shown that the 13C-NMR chemical shifts of carbon atoms in substituted sixmembered heteroaromatic compounds correlate with the correponding "additivity parameters" for substituted benzene derivatives. Thus, for precalculation of chemical shifts in such compounds, just one set of parameters can be used. The differences between experimental chemical shifts and those calculated from correlation with the common set may provide insights into intramolecular interactions not reported in the literature.
Keywords: 13C-NMR; substituent polar effects; pyridines; pyrazines; pyrimidines 13C-NMR; substituent polar effects; pyridines; pyrazines; pyrimidines
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Oszczapowicz, J. Substituent Effects in the 13C-NMR Spectra of Six-Membered Nitrogen Heteroaromatic Compounds. Int. J. Mol. Sci. 2005, 6, 11-17.

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